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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Related Compounds

[2-Methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-(7-oxa-10-azaspiro[4.6]undecan-10-yl)methanone
CID 119043710
3-Fluoro-1-[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529677
[4-(Difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 139010148
N-[(2-hydroxycyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 65833179
2-[{[(3R*,4R*)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70746019
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-3-pyrrolidinyl}methanol
CID 72869422
(3R*,4R*)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72883504
{3-Allyl-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}methanol
CID 72922014
4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 75484224
(9-Hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 75512798
(4-Ethyl-2-methyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 77852606
N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 86783509

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).