4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine

C6H7ClN2S — CID 57153466

IUPAC4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine
SMILESNc1nc(C=CCCl)cs1
InChIInChI=1S/C6H7ClN2S/c7-3-1-2-5-4-10-6(8)9-5/h1-2,4H,3H2,(H2,8,9)
InChIKeyUNLWJKQHUGGYJO-UHFFFAOYSA-N
MW174.66 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine

4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine (PubChem CID 57153466) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine
PubChem CID57153466
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine
SMILESNc1nc(C=CCCl)cs1
InChIInChI=1S/C6H7ClN2S/c7-3-1-2-5-4-10-6(8)9-5/h1-2,4H,3H2,(H2,8,9)
InChIKeyUNLWJKQHUGGYJO-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 54445846
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CID 59146712
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CID 59345793
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CID 88123854
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CID 88600251
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CID 88644555
CID 88644555

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine (CID 57153466) is 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine is Nc1nc(C=CCCl)cs1.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine?
The InChIKey is UNLWJKQHUGGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c7-3-1-2-5-4-10-6(8)9-5/h1-2,4H,3H2,(H2,8,9).
What are the key properties of 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine?
4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine has a molecular weight of 174.66 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57153466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).