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

C8H13ClN2S — CID 141371603

IUPAC1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-3-4-6(10-2)7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3
InChIKeyHAHTZJPCBDPMCQ-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.86
Rot. Bonds4

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

1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine (PubChem CID 141371603) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine
PubChem CID141371603
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-3-4-6(10-2)7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3
InChIKeyHAHTZJPCBDPMCQ-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.86
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-methylbutan-1-amine?
The IUPAC name of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine (CID 141371603) is 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine is CCCC(NC)c1cnc(Cl)s1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
The InChIKey is HAHTZJPCBDPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-3-4-6(10-2)7-5-11-8(9)12-7/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
1-(2-chloro-1,3-thiazol-5-yl)-N-methylbutan-1-amine has a molecular weight of 204.73 g/mol, XLogP of 2.86, 4 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-methylbutan-1-amine is sourced from PubChem (CID 141371603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).