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

C19H18N4OS3 — CID 118059092

IUPAC6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H18N4OS3/c1-2-3-11-27(24)19-14(20)13-15(12-7-5-4-6-8-12)22-16(23-17(13)26-19)18-21-9-10-25-18/h4-10H,2-3,11,20H2,1H3
InChIKeyMWJPYCGSQKOHES-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.97
Rot. Bonds6

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

6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 118059092) has the molecular formula C19H18N4OS3 and a molecular weight of 414.58 g/mol. Its IUPAC name is 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
PubChem CID118059092
Molecular FormulaC19H18N4OS3
Molecular Weight414.58 g/mol
Exact Mass414.06
IUPAC Name6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H18N4OS3/c1-2-3-11-27(24)19-14(20)13-15(12-7-5-4-6-8-12)22-16(23-17(13)26-19)18-21-9-10-25-18/h4-10H,2-3,11,20H2,1H3
InChIKeyMWJPYCGSQKOHES-UHFFFAOYSA-N
XLogP4.97
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CID 24880024
4U5Bza9NL4
CID 9813424
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 118059092) is 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The InChIKey is MWJPYCGSQKOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS3/c1-2-3-11-27(24)19-14(20)13-15(12-7-5-4-6-8-12)22-16(23-17(13)26-19)18-21-9-10-25-18/h4-10H,2-3,11,20H2,1H3.
What are the key properties of 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 414.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 118059092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).