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

C15H18ClN3OS — CID 168580981

IUPACN-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
SMILESCc1cc(NCc2cnc(Cl)s2)ccc1NC(=O)C(C)C
InChIInChI=1S/C15H18ClN3OS/c1-9(2)14(20)19-13-5-4-11(6-10(13)3)17-7-12-8-18-15(16)21-12/h4-6,8-9,17H,7H2,1-3H3,(H,19,20)
InChIKeyIXCSNZZCNUHEKH-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.31
Rot. Bonds5

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

N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide (PubChem CID 168580981) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
PubChem CID168580981
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
SMILESCc1cc(NCc2cnc(Cl)s2)ccc1NC(=O)C(C)C
InChIInChI=1S/C15H18ClN3OS/c1-9(2)14(20)19-13-5-4-11(6-10(13)3)17-7-12-8-18-15(16)21-12/h4-6,8-9,17H,7H2,1-3H3,(H,19,20)
InChIKeyIXCSNZZCNUHEKH-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-iodo-3-methylaniline
CID 168581142
N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
CID 168581864
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
CID 168582686
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-diethyl-3-methylbenzamide
CID 168579788
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-ethyl-4-iodoaniline
CID 168584467
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide (CID 168580981) is N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide is Cc1cc(NCc2cnc(Cl)s2)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide?
The InChIKey is IXCSNZZCNUHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-9(2)14(20)19-13-5-4-11(6-10(13)3)17-7-12-8-18-15(16)21-12/h4-6,8-9,17H,7H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide?
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide has a molecular weight of 323.85 g/mol, XLogP of 4.31, 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]-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 168580981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).