3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide

C14H14Cl2N4O2S — CID 175105400

IUPAC3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide
SMILESCCCNC(=O)Nc1ccccc1NC(=O)c1snc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4O2S/c1-2-7-17-14(22)19-9-6-4-3-5-8(9)18-13(21)11-10(15)12(16)20-23-11/h3-6H,2,7H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyHAWYXFVHIXXODP-UHFFFAOYSA-N
MW373.27 g/mol
LogP4.23
Rot. Bonds5

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

3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 175105400) has the molecular formula C14H14Cl2N4O2S and a molecular weight of 373.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide
PubChem CID175105400
Molecular FormulaC14H14Cl2N4O2S
Molecular Weight373.27 g/mol
Exact Mass372.02
IUPAC Name3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide
SMILESCCCNC(=O)Nc1ccccc1NC(=O)c1snc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4O2S/c1-2-7-17-14(22)19-9-6-4-3-5-8(9)18-13(21)11-10(15)12(16)20-23-11/h3-6H,2,7H2,1H3,(H,18,21)(H2,17,19,22)
InChIKeyHAWYXFVHIXXODP-UHFFFAOYSA-N
XLogP4.23
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide (CID 175105400) is 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide is CCCNC(=O)Nc1ccccc1NC(=O)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is HAWYXFVHIXXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2S/c1-2-7-17-14(22)19-9-6-4-3-5-8(9)18-13(21)11-10(15)12(16)20-23-11/h3-6H,2,7H2,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 373.27 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(propylcarbamoylamino)phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 175105400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).