2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide

C14H16N6OS2 — CID 3186704

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2ncc(C#N)c(N)n2)n1
InChIInChI=1S/C14H16N6OS2/c1-14(2,3)9-6-22-13(18-9)19-10(21)7-23-12-17-5-8(4-15)11(16)20-12/h5-6H,7H2,1-3H3,(H2,16,17,20)(H,18,19,21)
InChIKeyYHAUDNLMNHYWNB-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3186704) has the molecular formula C14H16N6OS2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
PubChem CID3186704
Molecular FormulaC14H16N6OS2
Molecular Weight348.46 g/mol
Exact Mass348.08
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2ncc(C#N)c(N)n2)n1
InChIInChI=1S/C14H16N6OS2/c1-14(2,3)9-6-22-13(18-9)19-10(21)7-23-12-17-5-8(4-15)11(16)20-12/h5-6H,7H2,1-3H3,(H2,16,17,20)(H,18,19,21)
InChIKeyYHAUDNLMNHYWNB-UHFFFAOYSA-N
XLogP2.42
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 16489829
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 155709490
N-[4-(2-fluoropyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
CID 175760336
Acetamide, 2-(2-amino-5-cyano-6-methylthio-4-pyrimidinethio)-N-(2-thiazolyl)-
CID 617407
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 16479882
N-[5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]acetamide
CID 57834005
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 3731797
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 5035237
N-(4-Methyl-1,3-thiazol-2-YL)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 9457592
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-pyrimidinylsulfanyl)acetamide
CID 9457621
N-[4-(pyrimidin-2-ylthiomethyl)-1,3-thiazol-2-yl]acetamide
CID 16386206
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 16486442

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide (CID 3186704) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide is CC(C)(C)c1csc(NC(=O)CSc2ncc(C#N)c(N)n2)n1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is YHAUDNLMNHYWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS2/c1-14(2,3)9-6-22-13(18-9)19-10(21)7-23-12-17-5-8(4-15)11(16)20-12/h5-6H,7H2,1-3H3,(H2,16,17,20)(H,18,19,21).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 348.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3186704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).