2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C16H16N6OS2 — CID 23997876

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)Sc3ncnc(N)n3)n2)cc1
InChIInChI=1S/C16H16N6OS2/c1-9-3-5-11(6-4-9)12-7-24-16(20-12)21-13(23)10(2)25-15-19-8-18-14(17)22-15/h3-8,10H,1-2H3,(H,20,21,23)(H2,17,18,19,22)
InChIKeyKWGTXVQQNPCUOR-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.01
Rot. Bonds5

About 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23997876) has the molecular formula C16H16N6OS2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23997876
Molecular FormulaC16H16N6OS2
Molecular Weight372.48 g/mol
Exact Mass372.08
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)Sc3ncnc(N)n3)n2)cc1
InChIInChI=1S/C16H16N6OS2/c1-9-3-5-11(6-4-9)12-7-24-16(20-12)21-13(23)10(2)25-15-19-8-18-14(17)22-15/h3-8,10H,1-2H3,(H,20,21,23)(H2,17,18,19,22)
InChIKeyKWGTXVQQNPCUOR-UHFFFAOYSA-N
XLogP3.01
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304864
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 23742880
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24568436
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 23772582
2-(4-aminophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19630104
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304865
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4013035
2-(4-aminophenyl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19629818
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
2-(4-aminophenyl)sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19630895
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)propanamide
CID 71669882
(2S)-N-(4-phenyl-1,3-thiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7784999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 23997876) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)C(C)Sc3ncnc(N)n3)n2)cc1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is KWGTXVQQNPCUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS2/c1-9-3-5-11(6-4-9)12-7-24-16(20-12)21-13(23)10(2)25-15-19-8-18-14(17)22-15/h3-8,10H,1-2H3,(H,20,21,23)(H2,17,18,19,22).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 372.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23997876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).