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

C16H21N3O3S — CID 110003943

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N(C)CC3CCCCC3O)c(=O)n12
InChIInChI=1S/C16H21N3O3S/c1-10-9-23-16-17-7-12(15(22)19(10)16)14(21)18(2)8-11-5-3-4-6-13(11)20/h7,9,11,13,20H,3-6,8H2,1-2H3
InChIKeyRXDNPCCZAIQYRZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.69
Rot. Bonds3

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

N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 110003943) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID110003943
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)N(C)CC3CCCCC3O)c(=O)n12
InChIInChI=1S/C16H21N3O3S/c1-10-9-23-16-17-7-12(15(22)19(10)16)14(21)18(2)8-11-5-3-4-6-13(11)20/h7,9,11,13,20H,3-6,8H2,1-2H3
InChIKeyRXDNPCCZAIQYRZ-UHFFFAOYSA-N
XLogP1.69
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 110003943) is N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)N(C)CC3CCCCC3O)c(=O)n12.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RXDNPCCZAIQYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10-9-23-16-17-7-12(15(22)19(10)16)14(21)18(2)8-11-5-3-4-6-13(11)20/h7,9,11,13,20H,3-6,8H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 110003943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).