1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide

C19H25N3O3S2 — CID 172666720

IUPAC1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCSCc1nc(CNC(=O)c2c(C)ccn(C3CCC(O)CC3)c2=O)cs1
InChIInChI=1S/C19H25N3O3S2/c1-12-7-8-22(14-3-5-15(23)6-4-14)19(25)17(12)18(24)20-9-13-10-27-16(21-13)11-26-2/h7-8,10,14-15,23H,3-6,9,11H2,1-2H3,(H,20,24)
InChIKeyALEWFYYEZOUWRA-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide

1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172666720) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID172666720
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCSCc1nc(CNC(=O)c2c(C)ccn(C3CCC(O)CC3)c2=O)cs1
InChIInChI=1S/C19H25N3O3S2/c1-12-7-8-22(14-3-5-15(23)6-4-14)19(25)17(12)18(24)20-9-13-10-27-16(21-13)11-26-2/h7-8,10,14-15,23H,3-6,9,11H2,1-2H3,(H,20,24)
InChIKeyALEWFYYEZOUWRA-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide 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

1-(4-hydroxycyclohexyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666762
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172669132
N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide
CID 172665635
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide
CID 72858598
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 74246698
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 74235486
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74244576
2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 72859862
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172658355
(4S)-1-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 99929525
methyl 2-fluoro-4-[[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]benzoate
CID 175640994

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide (CID 172666720) is 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide is CSCc1nc(CNC(=O)c2c(C)ccn(C3CCC(O)CC3)c2=O)cs1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ALEWFYYEZOUWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-12-7-8-22(14-3-5-15(23)6-4-14)19(25)17(12)18(24)20-9-13-10-27-16(21-13)11-26-2/h7-8,10,14-15,23H,3-6,9,11H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide?
1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-4-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172666720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).