2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 66389528

IUPAC2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC2(C)CCCC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(13)11-14-9(7-17-11)10(16)15-12(2)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,15,16)
InChIKeyNUPOXKTZHJKGQI-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.23
Rot. Bonds3

About 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389528) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
PubChem CID66389528
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC2(C)CCCC2)cs1
InChIInChI=1S/C12H19N3OS/c1-8(13)11-14-9(7-17-11)10(16)15-12(2)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,15,16)
InChIKeyNUPOXKTZHJKGQI-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 62787757
1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161359
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433669
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 107163944
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389960
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide (CID 66389528) is 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NC2(C)CCCC2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NUPOXKTZHJKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(13)11-14-9(7-17-11)10(16)15-12(2)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).