N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

C17H20N2O2S — CID 50753385

IUPACN-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
InChIInChI=1S/C17H20N2O2S/c1-12-16(17(20)19-13-7-5-6-8-13)22-15(18-12)11-21-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11H2,1H3,(H,19,20)
InChIKeyNZWWSLTYGIREPO-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.70
Rot. Bonds5

About N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 50753385) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID50753385
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1
InChIInChI=1S/C17H20N2O2S/c1-12-16(17(20)19-13-7-5-6-8-13)22-15(18-12)11-21-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11H2,1H3,(H,19,20)
InChIKeyNZWWSLTYGIREPO-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850738
2-Phenoxy-5,6,7,8-tetrahydro-thiazolo[5,4-c]azepin-4-one
CID 776318
5-(Oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53246601
5-(Cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247219
5-Ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247471
5-Methyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67246999
[4-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 68497905
4-methyl-2-(2-phenoxyethylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 1986175
5-(2-Methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53246602
5-Cyclopropyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247224
2-(Phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53247590
5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-N-propyl-
CID 3068074

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (CID 50753385) is N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccccc2)sc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NZWWSLTYGIREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-16(17(20)19-13-7-5-6-8-13)22-15(18-12)11-21-14-9-3-2-4-10-14/h2-4,9-10,13H,5-8,11H2,1H3,(H,19,20).
What are the key properties of N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50753385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).