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

C18H27N3O2S — CID 126668436

IUPACN-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCC1CCC(NC(=O)c2cnc3n(c2=O)CC(C)S3)CC1
InChIInChI=1S/C18H27N3O2S/c1-3-4-5-13-6-8-14(9-7-13)20-16(22)15-10-19-18-21(17(15)23)11-12(2)24-18/h10,12-14H,3-9,11H2,1-2H3,(H,20,22)
InChIKeyKDBLAWJMPHBVNO-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.22
Rot. Bonds5

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

N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126668436) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126668436
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCCC1CCC(NC(=O)c2cnc3n(c2=O)CC(C)S3)CC1
InChIInChI=1S/C18H27N3O2S/c1-3-4-5-13-6-8-14(9-7-13)20-16(22)15-10-19-18-21(17(15)23)11-12(2)24-18/h10,12-14H,3-9,11H2,1-2H3,(H,20,22)
InChIKeyKDBLAWJMPHBVNO-UHFFFAOYSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126668436) is N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCCC1CCC(NC(=O)c2cnc3n(c2=O)CC(C)S3)CC1.
What is the InChIKey of N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KDBLAWJMPHBVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-3-4-5-13-6-8-14(9-7-13)20-16(22)15-10-19-18-21(17(15)23)11-12(2)24-18/h10,12-14H,3-9,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexyl)-2-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126668436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).