5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine

C6H7ClN2S2 — CID 24706082

IUPAC5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine
SMILESC=C(Cl)CSc1cnc(N)s1
InChIInChI=1S/C6H7ClN2S2/c1-4(7)3-10-5-2-9-6(8)11-5/h2H,1,3H2,(H2,8,9)
InChIKeyZRDQMRWGVVFBDA-UHFFFAOYSA-N
MW206.72 g/mol
LogP2.57
Rot. Bonds3

About 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine

5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 24706082) has the molecular formula C6H7ClN2S2 and a molecular weight of 206.72 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine
PubChem CID24706082
Molecular FormulaC6H7ClN2S2
Molecular Weight206.72 g/mol
Exact Mass205.97
IUPAC Name5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine
SMILESC=C(Cl)CSc1cnc(N)s1
InChIInChI=1S/C6H7ClN2S2/c1-4(7)3-10-5-2-9-6(8)11-5/h2H,1,3H2,(H2,8,9)
InChIKeyZRDQMRWGVVFBDA-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine (CID 24706082) is 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine is C=C(Cl)CSc1cnc(N)s1.
What is the InChIKey of 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is ZRDQMRWGVVFBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S2/c1-4(7)3-10-5-2-9-6(8)11-5/h2H,1,3H2,(H2,8,9).
What are the key properties of 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine?
5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 206.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24706082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).