2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

C21H24N4O2S2 — CID 89334618

IUPAC2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(CC(C)O)c(N)c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1
InChIInChI=1S/C21H24N4O2S2/c1-12-9-16(10-13(2)26)18(22)20(23-12)28-11-17(27)24-21-25-19(14(3)29-21)15-7-5-4-6-8-15/h4-9,13,26H,10-11,22H2,1-3H3,(H,24,25,27)
InChIKeyNPCSFMQDBIEZEV-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.06
Rot. Bonds7

About 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 89334618) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID89334618
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC Name2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(CC(C)O)c(N)c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1
InChIInChI=1S/C21H24N4O2S2/c1-12-9-16(10-13(2)26)18(22)20(23-12)28-11-17(27)24-21-25-19(14(3)29-21)15-7-5-4-6-8-15/h4-9,13,26H,10-11,22H2,1-3H3,(H,24,25,27)
InChIKeyNPCSFMQDBIEZEV-UHFFFAOYSA-N
XLogP4.06
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-(3-aminophenyl)sulfanyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 18894487
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3256513
N-[[4-ethyl-5-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126156400
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3470910
2-methyl-N-[4-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 19711931
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1316367
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6415050
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 89334618) is 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1cc(CC(C)O)c(N)c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)n1.
What is the InChIKey of 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NPCSFMQDBIEZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c1-12-9-16(10-13(2)26)18(22)20(23-12)28-11-17(27)24-21-25-19(14(3)29-21)15-7-5-4-6-8-15/h4-9,13,26H,10-11,22H2,1-3H3,(H,24,25,27).
What are the key properties of 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 428.58 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-4-(2-hydroxypropyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 89334618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).