2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C18H15N5OS3 — CID 24528300

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nc(N)c2ccsc2n1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15N5OS3/c1-10(27-18-21-14(19)12-7-8-25-16(12)23-18)15(24)22-17-20-13(9-26-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,21,23)(H,20,22,24)
InChIKeyPLHJMMKLAMRBSR-UHFFFAOYSA-N
MW413.55 g/mol
LogP4.52
Rot. Bonds5

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 24528300) has the molecular formula C18H15N5OS3 and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID24528300
Molecular FormulaC18H15N5OS3
Molecular Weight413.55 g/mol
Exact Mass413.04
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nc(N)c2ccsc2n1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15N5OS3/c1-10(27-18-21-14(19)12-7-8-25-16(12)23-18)15(24)22-17-20-13(9-26-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,21,23)(H,20,22,24)
InChIKeyPLHJMMKLAMRBSR-UHFFFAOYSA-N
XLogP4.52
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide
CID 60699061
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41236618
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41236615
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999
2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 46305082
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23772584
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7977672
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304865
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304864
(2R)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2587051

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 24528300) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(Sc1nc(N)c2ccsc2n1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PLHJMMKLAMRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS3/c1-10(27-18-21-14(19)12-7-8-25-16(12)23-18)15(24)22-17-20-13(9-26-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,21,23)(H,20,22,24).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 413.55 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24528300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).