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

C18H16ClN3OS — CID 168582686

IUPACN-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCc3cnc(Cl)s3)cc2)c1
InChIInChI=1S/C18H16ClN3OS/c1-12-3-2-4-13(9-12)17(23)22-15-7-5-14(6-8-15)20-10-16-11-21-18(19)24-16/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeyKORFEHZTYKYBIA-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.97
Rot. Bonds5

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

N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide (PubChem CID 168582686) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
PubChem CID168582686
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NCc3cnc(Cl)s3)cc2)c1
InChIInChI=1S/C18H16ClN3OS/c1-12-3-2-4-13(9-12)17(23)22-15-7-5-14(6-8-15)20-10-16-11-21-18(19)24-16/h2-9,11,20H,10H2,1H3,(H,22,23)
InChIKeyKORFEHZTYKYBIA-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
CID 168581864
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
N-[4-[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168583359
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
CID 1479747
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
CID 168580981
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
CID 87724838
CID 87724838

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide (CID 168582686) is N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(NCc3cnc(Cl)s3)cc2)c1.
What is the InChIKey of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide?
The InChIKey is KORFEHZTYKYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-12-3-2-4-13(9-12)17(23)22-15-7-5-14(6-8-15)20-10-16-11-21-18(19)24-16/h2-9,11,20H,10H2,1H3,(H,22,23).
What are the key properties of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide?
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide has a molecular weight of 357.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 168582686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).