N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine

C7H11ClN2S — CID 65027979

IUPACN-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCC(C)Cl)n1
InChIInChI=1S/C7H11ClN2S/c1-5(8)3-9-7-10-6(2)4-11-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyHKJCDQBMJHROFE-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.49
Rot. Bonds3

About N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine

N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 65027979) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID65027979
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC NameN-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCC(C)Cl)n1
InChIInChI=1S/C7H11ClN2S/c1-5(8)3-9-7-10-6(2)4-11-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyHKJCDQBMJHROFE-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.49
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

3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 81066460
2-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]butanoic acid
CID 65226722
N-(2-ethylhexyl)-4-methyl-1,3-thiazol-2-amine
CID 107816461
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 83186786
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 106158680
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 106354400
3-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 164648811
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-[(3,3-difluorocyclobutyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 130834238
N-(2-chloro-4-methylpentyl)-4-ethyl-1,3-thiazol-2-amine
CID 107156261
N-ethyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 61020818

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine (CID 65027979) is N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(NCC(C)Cl)n1.
What is the InChIKey of N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HKJCDQBMJHROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-5(8)3-9-7-10-6(2)4-11-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine?
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 190.70 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65027979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).