N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide

C16H18N2O3S2 — CID 176502139

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide
SMILESCc1csc(SC2CCC(NC(=O)c3ccc(=O)oc3)CC2)n1
InChIInChI=1S/C16H18N2O3S2/c1-10-9-22-16(17-10)23-13-5-3-12(4-6-13)18-15(20)11-2-7-14(19)21-8-11/h2,7-9,12-13H,3-6H2,1H3,(H,18,20)
InChIKeyPEMKQUPAHDHJQV-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.24
Rot. Bonds4

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide (PubChem CID 176502139) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide
PubChem CID176502139
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide
SMILESCc1csc(SC2CCC(NC(=O)c3ccc(=O)oc3)CC2)n1
InChIInChI=1S/C16H18N2O3S2/c1-10-9-22-16(17-10)23-13-5-3-12(4-6-13)18-15(20)11-2-7-14(19)21-8-11/h2,7-9,12-13H,3-6H2,1H3,(H,18,20)
InChIKeyPEMKQUPAHDHJQV-UHFFFAOYSA-N
XLogP3.24
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-6-oxopyran-3-carboxamide
CID 79113506
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide
CID 175641302
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 175642743
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-3-pyridin-3-ylpropanamide
CID 175642849
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 176503419
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
N-(3-aminocyclobutyl)-6-oxopyran-3-carboxamide
CID 43594945
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 56569543
6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
CID 176505850
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40790129
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide (CID 176502139) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide is Cc1csc(SC2CCC(NC(=O)c3ccc(=O)oc3)CC2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide?
The InChIKey is PEMKQUPAHDHJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-10-9-22-16(17-10)23-13-5-3-12(4-6-13)18-15(20)11-2-7-14(19)21-8-11/h2,7-9,12-13H,3-6H2,1H3,(H,18,20).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 176502139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).