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

C16H26N2O2S — CID 109400415

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)N(C)CC2CCCC2O)s1
InChIInChI=1S/C16H26N2O2S/c1-10(2)8-13-15(21-11(3)17-13)16(20)18(4)9-12-6-5-7-14(12)19/h10,12,14,19H,5-9H2,1-4H3
InChIKeySUKTVFSTOPHMCZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.88
Rot. Bonds5

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

N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 109400415) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID109400415
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)N(C)CC2CCCC2O)s1
InChIInChI=1S/C16H26N2O2S/c1-10(2)8-13-15(21-11(3)17-13)16(20)18(4)9-12-6-5-7-14(12)19/h10,12,14,19H,5-9H2,1-4H3
InChIKeySUKTVFSTOPHMCZ-UHFFFAOYSA-N
XLogP2.88
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 109400415) is N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)c(C(=O)N(C)CC2CCCC2O)s1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SUKTVFSTOPHMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10(2)8-13-15(21-11(3)17-13)16(20)18(4)9-12-6-5-7-14(12)19/h10,12,14,19H,5-9H2,1-4H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 109400415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).