2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

C19H18ClN3O2S — CID 46066809

IUPAC2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-2-9-25-14-3-4-15(16(20)10-14)19-23-17(12-26-19)18(24)22-11-13-5-7-21-8-6-13/h3-8,10,12H,2,9,11H2,1H3,(H,22,24)
InChIKeyZQEYDNSXTNNRRW-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.58
Rot. Bonds7

About 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide

2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066809) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46066809
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O2S/c1-2-9-25-14-3-4-15(16(20)10-14)19-23-17(12-26-19)18(24)22-11-13-5-7-21-8-6-13/h3-8,10,12H,2,9,11H2,1H3,(H,22,24)
InChIKeyZQEYDNSXTNNRRW-UHFFFAOYSA-N
XLogP4.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42866186
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066676
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46068117
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066403
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46066775

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46066809) is 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is CCCOc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZQEYDNSXTNNRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-2-9-25-14-3-4-15(16(20)10-14)19-23-17(12-26-19)18(24)22-11-13-5-7-21-8-6-13/h3-8,10,12H,2,9,11H2,1H3,(H,22,24).
What are the key properties of 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).