N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C12H12N4S3 — CID 62189283

IUPACN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2nc(C)cs2)nc2sccc12
InChIInChI=1S/C12H12N4S3/c1-7-5-18-12(14-7)19-6-9-15-10(13-2)8-3-4-17-11(8)16-9/h3-5H,6H2,1-2H3,(H,13,15,16)
InChIKeyQWQIIZHRTRODMV-UHFFFAOYSA-N
MW308.46 g/mol
LogP3.79
Rot. Bonds4

About N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189283) has the molecular formula C12H12N4S3 and a molecular weight of 308.46 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189283
Molecular FormulaC12H12N4S3
Molecular Weight308.46 g/mol
Exact Mass308.02
IUPAC NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2nc(C)cs2)nc2sccc12
InChIInChI=1S/C12H12N4S3/c1-7-5-18-12(14-7)19-6-9-15-10(13-2)8-3-4-17-11(8)16-9/h3-5H,6H2,1-2H3,(H,13,15,16)
InChIKeyQWQIIZHRTRODMV-UHFFFAOYSA-N
XLogP3.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 62189283) is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2nc(C)cs2)nc2sccc12.
What is the InChIKey of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QWQIIZHRTRODMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S3/c1-7-5-18-12(14-7)19-6-9-15-10(13-2)8-3-4-17-11(8)16-9/h3-5H,6H2,1-2H3,(H,13,15,16).
What are the key properties of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).