N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide

C18H22ClN3O4S — CID 88991173

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide
SMILESCc1cc(CO)cc(=O)n1C(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C18H22ClN3O4S/c1-11-6-13(10-23)8-16(24)22(11)14(7-12-2-4-26-5-3-12)17(25)21-18-20-9-15(19)27-18/h6,8-9,12,14,23H,2-5,7,10H2,1H3,(H,20,21,25)
InChIKeyJBRJSYFTPFVTCV-UHFFFAOYSA-N
MW411.91 g/mol
LogP2.76
Rot. Bonds6

About N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide

N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide (PubChem CID 88991173) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide
PubChem CID88991173
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide
SMILESCc1cc(CO)cc(=O)n1C(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C18H22ClN3O4S/c1-11-6-13(10-23)8-16(24)22(11)14(7-12-2-4-26-5-3-12)17(25)21-18-20-9-15(19)27-18/h6,8-9,12,14,23H,2-5,7,10H2,1H3,(H,20,21,25)
InChIKeyJBRJSYFTPFVTCV-UHFFFAOYSA-N
XLogP2.76
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-[4-(2,5-dimethylfuran-3-yl)sulfonyl-2-methyl-6-oxo-1-pyridinyl]propanamide
CID 24961076
2-(3-chloro-4-cyclopropylsulfonyl-6-methyl-2-oxo-1-pyridinyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 76587238
(2S)-N-(5-chloro-1,3-thiazol-2-yl)-3-(oxan-4-yl)-2-[2-oxo-4-(2,2,2-trifluoroethylsulfonyl)-1-pyridinyl]propanamide
CID 87334081
3-cyclopentyl-2-(4-cyclopropylsulfonyl-2-methyl-6-oxo-1-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 87419743
(2R)-N-(5-chloro-1,3-thiazol-2-yl)-3-(oxan-4-yl)-2-(2-oxo-4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 25069586
2-(5-chloro-4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 76587215
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094198
(2R)-2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24957757
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094197
2-(4-cyclopropylsulfonyl-2-oxo-1-pyridinyl)-N-[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]-3-(oxan-4-yl)propanamide
CID 76587211
N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide
CID 87417610
methyl 2-[[(2S)-2-(4-cyclopentylsulfonyl-2-oxo-1-pyridinyl)-3-(oxan-4-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 24958876

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide (CID 88991173) is N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide is Cc1cc(CO)cc(=O)n1C(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide?
The InChIKey is JBRJSYFTPFVTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-11-6-13(10-23)8-16(24)22(11)14(7-12-2-4-26-5-3-12)17(25)21-18-20-9-15(19)27-18/h6,8-9,12,14,23H,2-5,7,10H2,1H3,(H,20,21,25).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide?
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide has a molecular weight of 411.91 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-2-[4-(hydroxymethyl)-2-methyl-6-oxo-1-pyridinyl]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 88991173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).