N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C14H23N3OS — CID 43665597

IUPACN-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNCC2CCCC2)cs1
InChIInChI=1S/C14H23N3OS/c1-3-17(11(2)18)14-16-13(10-19-14)9-15-8-12-6-4-5-7-12/h10,12,15H,3-9H2,1-2H3
InChIKeyKXGHMTHEZUHFOS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43665597) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43665597
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CNCC2CCCC2)cs1
InChIInChI=1S/C14H23N3OS/c1-3-17(11(2)18)14-16-13(10-19-14)9-15-8-12-6-4-5-7-12/h10,12,15H,3-9H2,1-2H3
InChIKeyKXGHMTHEZUHFOS-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 56908759
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 25468437
Cyclopentyl-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158576
1-[4-[4-[(4-Methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158598
N-[4-[(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 30757324
4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 38131593
2-acetamido-N-(cyclohexylmethyl)-1,3-thiazole-4-carboxamide
CID 39892122
2-acetamido-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 45884210
2-acetamido-N-(2-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 47028818
N-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 53015915
4-methyl-N-[[2-[methyl(4-methylpentanoyl)amino]-1,3-thiazol-4-yl]methyl]pentanamide
CID 53588069
N-[[2-[cyclopentanecarbonyl(methyl)amino]-1,3-thiazol-4-yl]methyl]cyclopentanecarboxamide
CID 53599532

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43665597) is N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CNCC2CCCC2)cs1.
What is the InChIKey of N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is KXGHMTHEZUHFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-17(11(2)18)14-16-13(10-19-14)9-15-8-12-6-4-5-7-12/h10,12,15H,3-9H2,1-2H3.
What are the key properties of N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 281.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopentylmethylamino)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43665597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).