4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine

C7H9ClN2S — CID 88640379

IUPAC4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(CCl)cs1
InChIInChI=1S/C7H9ClN2S/c1-2-3-9-7-10-6(4-8)5-11-7/h2,5H,1,3-4H2,(H,9,10)
InChIKeyRVYYVUSIBPHDKF-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.48
Rot. Bonds4

About 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine

4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 88640379) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID88640379
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(CCl)cs1
InChIInChI=1S/C7H9ClN2S/c1-2-3-9-7-10-6(4-8)5-11-7/h2,5H,1,3-4H2,(H,9,10)
InChIKeyRVYYVUSIBPHDKF-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 130159162
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
4-(5-chloro-1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine bromide
CID 45108453
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2902374
4-(chloromethyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 82179811
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
1-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-phenylthiourea
CID 108783783
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
2-oxopropyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 41377677

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 88640379) is 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is RVYYVUSIBPHDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c1-2-3-9-7-10-6(4-8)5-11-7/h2,5H,1,3-4H2,(H,9,10).
What are the key properties of 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 188.68 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 88640379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).