3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide

C14H14Cl2N2OS — CID 18721479

IUPAC3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide
SMILESCCCc1ccc(CNC(=O)c2snc(Cl)c2Cl)cc1
InChIInChI=1S/C14H14Cl2N2OS/c1-2-3-9-4-6-10(7-5-9)8-17-14(19)12-11(15)13(16)18-20-12/h4-7H,2-3,8H2,1H3,(H,17,19)
InChIKeyFSTAMWUTWXECAV-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.33
Rot. Bonds5

About 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide

3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide (PubChem CID 18721479) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide
PubChem CID18721479
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide
SMILESCCCc1ccc(CNC(=O)c2snc(Cl)c2Cl)cc1
InChIInChI=1S/C14H14Cl2N2OS/c1-2-3-9-4-6-10(7-5-9)8-17-14(19)12-11(15)13(16)18-20-12/h4-7H,2-3,8H2,1H3,(H,17,19)
InChIKeyFSTAMWUTWXECAV-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide (CID 18721479) is 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide is CCCc1ccc(CNC(=O)c2snc(Cl)c2Cl)cc1.
What is the InChIKey of 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide?
The InChIKey is FSTAMWUTWXECAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-2-3-9-4-6-10(7-5-9)8-17-14(19)12-11(15)13(16)18-20-12/h4-7H,2-3,8H2,1H3,(H,17,19).
What are the key properties of 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide has a molecular weight of 329.25 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-propylphenyl)methyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 18721479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).