(3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide

C10H5Cl2N3S — CID 174897338

IUPAC(3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide
SMILESN#CN(c1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2N3S/c11-8-9(12)14-16-10(8)15(6-13)7-4-2-1-3-5-7/h1-5H
InChIKeyFNWWKBZSAXBGON-UHFFFAOYSA-N
MW270.14 g/mol
LogP4.07
Rot. Bonds2

About (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide

(3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide (PubChem CID 174897338) has the molecular formula C10H5Cl2N3S and a molecular weight of 270.14 g/mol. Its IUPAC name is (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide.

Molecular Properties

Compound Name(3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide
PubChem CID174897338
Molecular FormulaC10H5Cl2N3S
Molecular Weight270.14 g/mol
Exact Mass268.96
IUPAC Name(3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide
SMILESN#CN(c1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2N3S/c11-8-9(12)14-16-10(8)15(6-13)7-4-2-1-3-5-7/h1-5H
InChIKeyFNWWKBZSAXBGON-UHFFFAOYSA-N
XLogP4.07
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide?
The IUPAC name of (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide (CID 174897338) is (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide.
What is the SMILES notation for (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide?
The canonical SMILES for (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide is N#CN(c1ccccc1)c1snc(Cl)c1Cl.
What is the InChIKey of (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide?
The InChIKey is FNWWKBZSAXBGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3S/c11-8-9(12)14-16-10(8)15(6-13)7-4-2-1-3-5-7/h1-5H.
What are the key properties of (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide?
(3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide has a molecular weight of 270.14 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-1,2-thiazol-5-yl)-phenylcyanamide is sourced from PubChem (CID 174897338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).