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

C13H21N3OS — CID 66389758

IUPAC2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1csc(CCN)n1
InChIInChI=1S/C13H21N3OS/c1-16(8-10-4-2-3-5-10)13(17)11-9-18-12(15-11)6-7-14/h9-10H,2-8,14H2,1H3
InChIKeyRHTNXLBFTVNLAO-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.91
Rot. Bonds5

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

2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66389758) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66389758
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1csc(CCN)n1
InChIInChI=1S/C13H21N3OS/c1-16(8-10-4-2-3-5-10)13(17)11-9-18-12(15-11)6-7-14/h9-10H,2-8,14H2,1H3
InChIKeyRHTNXLBFTVNLAO-UHFFFAOYSA-N
XLogP1.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624157
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
2-(2-aminoethyl)-N-(cyclopropylmethyl)-N-propyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616809
2-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 105417476
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389490
N-(cyclopropylmethyl)-2-iodo-N-methyl-1,3-thiazole-4-carboxamide
CID 126821832
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 81059550
2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 66389758) is 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CC1CCCC1)C(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RHTNXLBFTVNLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-16(8-10-4-2-3-5-10)13(17)11-9-18-12(15-11)6-7-14/h9-10H,2-8,14H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).