3,4-dichloro-1,2-thiazole-5-carboxamide

C4H2Cl2N2OS — CID 11333067

IUPAC3,4-dichloro-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1snc(Cl)c1Cl
InChIInChI=1S/C4H2Cl2N2OS/c5-1-2(4(7)9)10-8-3(1)6/h(H2,7,9)
InChIKeyMSPVBHUHEVRNBH-UHFFFAOYSA-N
MW197.05 g/mol
LogP1.55
Rot. Bonds1

About 3,4-dichloro-1,2-thiazole-5-carboxamide

3,4-dichloro-1,2-thiazole-5-carboxamide (PubChem CID 11333067) has the molecular formula C4H2Cl2N2OS and a molecular weight of 197.05 g/mol. Its IUPAC name is 3,4-dichloro-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-1,2-thiazole-5-carboxamide
PubChem CID11333067
Molecular FormulaC4H2Cl2N2OS
Molecular Weight197.05 g/mol
Exact Mass195.93
IUPAC Name3,4-dichloro-1,2-thiazole-5-carboxamide
SMILESNC(=O)c1snc(Cl)c1Cl
InChIInChI=1S/C4H2Cl2N2OS/c5-1-2(4(7)9)10-8-3(1)6/h(H2,7,9)
InChIKeyMSPVBHUHEVRNBH-UHFFFAOYSA-N
XLogP1.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.05
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-1,2-thiazole-5-carboxamide (CID 11333067) is 3,4-dichloro-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-1,2-thiazole-5-carboxamide is NC(=O)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-1,2-thiazole-5-carboxamide?
The InChIKey is MSPVBHUHEVRNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2OS/c5-1-2(4(7)9)10-8-3(1)6/h(H2,7,9).
What are the key properties of 3,4-dichloro-1,2-thiazole-5-carboxamide?
3,4-dichloro-1,2-thiazole-5-carboxamide has a molecular weight of 197.05 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 11333067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).