3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide

C17H14ClN3OS — CID 119044872

IUPAC3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESNCc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C17H14ClN3OS/c18-14-6-4-12(5-7-14)15-10-23-17(20-15)21-16(22)13-3-1-2-11(8-13)9-19/h1-8,10H,9,19H2,(H,20,21,22)
InChIKeyWHDIPNHIOLAPQR-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.17
Rot. Bonds4

About 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide

3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 119044872) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID119044872
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESNCc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C17H14ClN3OS/c18-14-6-4-12(5-7-14)15-10-23-17(20-15)21-16(22)13-3-1-2-11(8-13)9-19/h1-8,10H,9,19H2,(H,20,21,22)
InChIKeyWHDIPNHIOLAPQR-UHFFFAOYSA-N
XLogP4.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide (CID 119044872) is 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide is NCc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WHDIPNHIOLAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-14-6-4-12(5-7-14)15-10-23-17(20-15)21-16(22)13-3-1-2-11(8-13)9-19/h1-8,10H,9,19H2,(H,20,21,22).
What are the key properties of 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide?
3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 343.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 119044872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).