N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

C13H20N2O2S — CID 102635313

IUPACN-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)C2CCCCC2O)s1
InChIInChI=1S/C13H20N2O2S/c1-8-12(18-9(2)14-8)13(17)15(3)10-6-4-5-7-11(10)16/h10-11,16H,4-7H2,1-3H3
InChIKeyBNGRREMEGCOZLV-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.14
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide

N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 102635313) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID102635313
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)C2CCCCC2O)s1
InChIInChI=1S/C13H20N2O2S/c1-8-12(18-9(2)14-8)13(17)15(3)10-6-4-5-7-11(10)16/h10-11,16H,4-7H2,1-3H3
InChIKeyBNGRREMEGCOZLV-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide (CID 102635313) is N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)C2CCCCC2O)s1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BNGRREMEGCOZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-12(18-9(2)14-8)13(17)15(3)10-6-4-5-7-11(10)16/h10-11,16H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 102635313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).