2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide

C15H16ClN3OS — CID 119689395

IUPAC2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC(c2ccc(Cl)cc2)C2CC2)cs1
InChIInChI=1S/C15H16ClN3OS/c16-11-5-3-10(4-6-11)14(9-1-2-9)19-15(20)12-8-21-13(7-17)18-12/h3-6,8-9,14H,1-2,7,17H2,(H,19,20)
InChIKeyZSQCUFQNEDHUTJ-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.14
Rot. Bonds5

About 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide (PubChem CID 119689395) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
PubChem CID119689395
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC(c2ccc(Cl)cc2)C2CC2)cs1
InChIInChI=1S/C15H16ClN3OS/c16-11-5-3-10(4-6-11)14(9-1-2-9)19-15(20)12-8-21-13(7-17)18-12/h3-6,8-9,14H,1-2,7,17H2,(H,19,20)
InChIKeyZSQCUFQNEDHUTJ-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 120636487
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
2-(aminomethyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119794062
2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119757405
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(aminomethyl)-N-[2-(4-chlorophenyl)-2-methoxyethyl]-1,3-thiazole-4-carboxamide
CID 119803141
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 122080623
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66375562
2-(aminomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119722070
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide (CID 119689395) is 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC(c2ccc(Cl)cc2)C2CC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZSQCUFQNEDHUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-11-5-3-10(4-6-11)14(9-1-2-9)19-15(20)12-8-21-13(7-17)18-12/h3-6,8-9,14H,1-2,7,17H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.83 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119689395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).