6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

C18H17N5OS3 — CID 135388076

IUPAC6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3nccs3)c2c1N
InChIInChI=1S/C18H17N5OS3/c1-2-3-9-27(24)18-13(19)12-14(17-21-7-8-25-17)22-15(23-16(12)26-18)11-5-4-6-20-10-11/h4-8,10H,2-3,9,19H2,1H3
InChIKeyUSCSCRCTNWEWBX-UHFFFAOYSA-N
MW415.57 g/mol
LogP4.37
Rot. Bonds6

About 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 135388076) has the molecular formula C18H17N5OS3 and a molecular weight of 415.57 g/mol. Its IUPAC name is 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
PubChem CID135388076
Molecular FormulaC18H17N5OS3
Molecular Weight415.57 g/mol
Exact Mass415.06
IUPAC Name6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3nccs3)c2c1N
InChIInChI=1S/C18H17N5OS3/c1-2-3-9-27(24)18-13(19)12-14(17-21-7-8-25-17)22-15(23-16(12)26-18)11-5-4-6-20-10-11/h4-8,10H,2-3,9,19H2,1H3
InChIKeyUSCSCRCTNWEWBX-UHFFFAOYSA-N
XLogP4.37
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485744
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidin-5-amine
CID 90051604
2-[5-[4-[5-amino-6-[(S)-butylsulfinyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl]phenyl]-3-pyridinyl]-6-[(R)-2-methoxyethylsulfinyl]-4-phenylthieno[2,3-d]pyrimidin-5-amine
CID 142485919
6-(2-aminopyrimidin-5-yl)-2-butylsulfinyl-4-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159548372
3-(3-amino-2-butylsulfinyl-6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)benzonitrile
CID 142485898
2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
6-(2-aminopyrimidin-5-yl)-2-[(S)-3-methoxypropylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(S)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine;6-[(R)-3-methoxypropylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 158653266
2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
CID 158995842
6-(2-methoxyethylsulfinyl)-4-(3-methylimidazol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
CID 167341459
6-butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158221919
3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylic acid;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 159810962
[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl butanoate
CID 158245330

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 135388076) is 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)c1sc2nc(-c3cccnc3)nc(-c3nccs3)c2c1N.
What is the InChIKey of 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The InChIKey is USCSCRCTNWEWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS3/c1-2-3-9-27(24)18-13(19)12-14(17-21-7-8-25-17)22-15(23-16(12)26-18)11-5-4-6-20-10-11/h4-8,10H,2-3,9,19H2,1H3.
What are the key properties of 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 415.57 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-2-pyridin-3-yl-4-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 135388076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).