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

C15H18ClN3O2S — CID 168583889

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCNC(=O)c1ccc(NCc2cnc(Cl)s2)c(C)c1
InChIInChI=1S/C15H18ClN3O2S/c1-10-7-11(14(20)17-5-6-21-2)3-4-13(10)18-8-12-9-19-15(16)22-12/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyYOWYWKSQDRNZOU-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.09
Rot. Bonds7

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

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide (PubChem CID 168583889) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide
PubChem CID168583889
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCNC(=O)c1ccc(NCc2cnc(Cl)s2)c(C)c1
InChIInChI=1S/C15H18ClN3O2S/c1-10-7-11(14(20)17-5-6-21-2)3-4-13(10)18-8-12-9-19-15(16)22-12/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,20)
InChIKeyYOWYWKSQDRNZOU-UHFFFAOYSA-N
XLogP3.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-diethyl-3-methylbenzamide
CID 168579788
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
methyl 4-tert-butyl-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoate
CID 168582315
4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 63120657
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
CID 168581864
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 54883669
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
CID 168581737
methyl 4-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate
CID 43730493
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
CID 168579862
N-[2-(4-tert-butylphenoxy)ethyl]-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzamide
CID 168583738
N-(2-methoxyethyl)-3-methyl-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168607620

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide (CID 168583889) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide is COCCNC(=O)c1ccc(NCc2cnc(Cl)s2)c(C)c1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is YOWYWKSQDRNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-7-11(14(20)17-5-6-21-2)3-4-13(10)18-8-12-9-19-15(16)22-12/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,20).
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 339.85 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 168583889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).