2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

C17H20ClN3OS — CID 120636487

IUPAC2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC1CC1C(NC(=O)c1csc(CCN)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3OS/c1-10-8-13(10)16(11-2-4-12(18)5-3-11)21-17(22)14-9-23-15(20-14)6-7-19/h2-5,9-10,13,16H,6-8,19H2,1H3,(H,21,22)
InChIKeyOBAMHVNBQAOQAX-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120636487) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120636487
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC1CC1C(NC(=O)c1csc(CCN)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN3OS/c1-10-8-13(10)16(11-2-4-12(18)5-3-11)21-17(22)14-9-23-15(20-14)6-7-19/h2-5,9-10,13,16H,6-8,19H2,1H3,(H,21,22)
InChIKeyOBAMHVNBQAOQAX-UHFFFAOYSA-N
XLogP3.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
CID 119689395
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
4-(aminomethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]benzamide;hydrochloride
CID 119336431
2-(2-aminoethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120627358
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120620294

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (CID 120636487) is 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is CC1CC1C(NC(=O)c1csc(CCN)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OBAMHVNBQAOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-10-8-13(10)16(11-2-4-12(18)5-3-11)21-17(22)14-9-23-15(20-14)6-7-19/h2-5,9-10,13,16H,6-8,19H2,1H3,(H,21,22).
What are the key properties of 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120636487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).