N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide

C19H18ClN3OS — CID 168581864

IUPACN-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(NCc3cnc(Cl)s3)ccc2C)cc1
InChIInChI=1S/C19H18ClN3OS/c1-12-3-6-14(7-4-12)18(24)23-17-9-15(8-5-13(17)2)21-10-16-11-22-19(20)25-16/h3-9,11,21H,10H2,1-2H3,(H,23,24)
InChIKeyPKHVXHSJBPKGOE-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.28
Rot. Bonds5

About N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide

N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide (PubChem CID 168581864) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
PubChem CID168581864
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(NCc3cnc(Cl)s3)ccc2C)cc1
InChIInChI=1S/C19H18ClN3OS/c1-12-3-6-14(7-4-12)18(24)23-17-9-15(8-5-13(17)2)21-10-16-11-22-19(20)25-16/h3-9,11,21H,10H2,1-2H3,(H,23,24)
InChIKeyPKHVXHSJBPKGOE-UHFFFAOYSA-N
XLogP5.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
CID 168582686
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
CID 168580981
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168583359
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(3-methoxyphenyl)benzamide
CID 168579725
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
2-tert-butyl-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]isoindole-1,3-dione
CID 168581821

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide (CID 168581864) is N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(NCc3cnc(Cl)s3)ccc2C)cc1.
What is the InChIKey of N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide?
The InChIKey is PKHVXHSJBPKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-3-6-14(7-4-12)18(24)23-17-9-15(8-5-13(17)2)21-10-16-11-22-19(20)25-16/h3-9,11,21H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide?
N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide has a molecular weight of 371.89 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 168581864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).