N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O3S — CID 126470738

IUPACN-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C14H17N3O3S/c1-8-7-21-14-15-6-11(13(20)17(8)14)12(19)16-9-2-4-10(18)5-3-9/h6-7,9-10,18H,2-5H2,1H3,(H,16,19)
InChIKeyRYCXAJZXOLIOGJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.10
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470738) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470738
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C14H17N3O3S/c1-8-7-21-14-15-6-11(13(20)17(8)14)12(19)16-9-2-4-10(18)5-3-9/h6-7,9-10,18H,2-5H2,1H3,(H,16,19)
InChIKeyRYCXAJZXOLIOGJ-UHFFFAOYSA-N
XLogP1.10
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524569
N-(4-hydroxycyclohexyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470484
3-methyl-N-(2-methylcyclohexyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4065897
4-methyl-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530058
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4224151
N-(3-ethoxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248333
N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126470999
N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248322

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470738) is N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NC3CCC(O)CC3)c(=O)n12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RYCXAJZXOLIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-7-21-14-15-6-11(13(20)17(8)14)12(19)16-9-2-4-10(18)5-3-9/h6-7,9-10,18H,2-5H2,1H3,(H,16,19).
What are the key properties of N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).