2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C18H16ClN3O2S — CID 46003327

IUPAC2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(OCc2nc(C(=O)NCc3cccnc3)cs2)ccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-12-7-14(4-5-15(12)19)24-10-17-22-16(11-25-17)18(23)21-9-13-3-2-6-20-8-13/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyPANQBSGWKSQAJZ-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.01
Rot. Bonds6

About 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46003327) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46003327
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(OCc2nc(C(=O)NCc3cccnc3)cs2)ccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-12-7-14(4-5-15(12)19)24-10-17-22-16(11-25-17)18(23)21-9-13-3-2-6-20-8-13/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyPANQBSGWKSQAJZ-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methoxy-2-(2-phenylethyl)phenoxy]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 57182035
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110341871
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-[(4-chlorophenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 37155823
2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94876781
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46003327) is 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1cc(OCc2nc(C(=O)NCc3cccnc3)cs2)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PANQBSGWKSQAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-12-7-14(4-5-15(12)19)24-10-17-22-16(11-25-17)18(23)21-9-13-3-2-6-20-8-13/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46003327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).