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

C6H9ClN2S — CID 65027252

IUPACN-(2-chloropropyl)-1,3-thiazol-2-amine
SMILESCC(Cl)CNc1nccs1
InChIInChI=1S/C6H9ClN2S/c1-5(7)4-9-6-8-2-3-10-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeyDRUFEGIWYWIZJP-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.18
Rot. Bonds3

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

N-(2-chloropropyl)-1,3-thiazol-2-amine (PubChem CID 65027252) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is N-(2-chloropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloropropyl)-1,3-thiazol-2-amine
PubChem CID65027252
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC NameN-(2-chloropropyl)-1,3-thiazol-2-amine
SMILESCC(Cl)CNc1nccs1
InChIInChI=1S/C6H9ClN2S/c1-5(7)4-9-6-8-2-3-10-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeyDRUFEGIWYWIZJP-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.18
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

N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 65033764
N-(2-cyclopropylpropyl)-1,3-thiazol-2-amine
CID 115591460
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol
CID 59073559
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-(3-chloro-4-methoxybutyl)-1,3-thiazol-2-amine
CID 106243006

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloropropyl)-1,3-thiazol-2-amine (CID 65027252) is N-(2-chloropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloropropyl)-1,3-thiazol-2-amine is CC(Cl)CNc1nccs1.
What is the InChIKey of N-(2-chloropropyl)-1,3-thiazol-2-amine?
The InChIKey is DRUFEGIWYWIZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-5(7)4-9-6-8-2-3-10-6/h2-3,5H,4H2,1H3,(H,8,9).
What are the key properties of N-(2-chloropropyl)-1,3-thiazol-2-amine?
N-(2-chloropropyl)-1,3-thiazol-2-amine has a molecular weight of 176.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65027252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).