N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C17H28N2O2S — CID 110003363

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)N(C)CC2CCCCC2O)s1
InChIInChI=1S/C17H28N2O2S/c1-11(2)9-14-16(22-12(3)18-14)17(21)19(4)10-13-7-5-6-8-15(13)20/h11,13,15,20H,5-10H2,1-4H3
InChIKeyDKNZGMMWCKPGCH-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.27
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 110003363) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID110003363
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)N(C)CC2CCCCC2O)s1
InChIInChI=1S/C17H28N2O2S/c1-11(2)9-14-16(22-12(3)18-14)17(21)19(4)10-13-7-5-6-8-15(13)20/h11,13,15,20H,5-10H2,1-4H3
InChIKeyDKNZGMMWCKPGCH-UHFFFAOYSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 110003363) is N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)c(C(=O)N(C)CC2CCCCC2O)s1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DKNZGMMWCKPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-11(2)9-14-16(22-12(3)18-14)17(21)19(4)10-13-7-5-6-8-15(13)20/h11,13,15,20H,5-10H2,1-4H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110003363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).