1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine

C7H11ClN2S — CID 141371604

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cnc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-3-5(9-2)6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3
InChIKeyCOWXHILUPYVASR-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine

1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine (PubChem CID 141371604) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine
PubChem CID141371604
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cnc(Cl)s1
InChIInChI=1S/C7H11ClN2S/c1-3-5(9-2)6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3
InChIKeyCOWXHILUPYVASR-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine (CID 141371604) is 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine is CCC(NC)c1cnc(Cl)s1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is COWXHILUPYVASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-3-5(9-2)6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine?
1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 190.70 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 141371604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).