N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C19H27N3O2S — CID 4598644

IUPACN,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H27N3O2S/c23-17-16(13-20-19-21(17)11-12-25-19)18(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2
InChIKeyYITAUKOWXOOBHD-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.46
Rot. Bonds3

About N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4598644) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4598644
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H27N3O2S/c23-17-16(13-20-19-21(17)11-12-25-19)18(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2
InChIKeyYITAUKOWXOOBHD-UHFFFAOYSA-N
XLogP3.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-N-cyclohexyl-5-oxo-
CID 4084303
Piperidine, 1-((2,3-dihydro-5-oxo-5H-thiazolo(3,2-a)pyrimidin-6-yl)carbonyl)-
CID 13379280
N-cyclohexyl-N-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5165321
N-cyclododecyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4189746
6-(2-methylpiperidine-1-carbonyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 4397080
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
2-Methyl-6-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126469788
6-(4-Pyrrolidin-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126471186
6-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6937789
6-[(2R)-2-methylpiperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6937791
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9489608
6-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9489609

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4598644) is N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2n(c1=O)CCS2)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YITAUKOWXOOBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-17-16(13-20-19-21(17)11-12-25-19)18(24)22(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15H,1-12H2.
What are the key properties of N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4598644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).