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

C8H13ClN2S — CID 66223681

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-6(2)3-10-5-8-11-4-7(9)12-8/h4,6,10H,3,5H2,1-2H3
InChIKeyCNMZOUKKNYIAOS-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.54
Rot. Bonds4

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 66223681) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID66223681
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2S/c1-6(2)3-10-5-8-11-4-7(9)12-8/h4,6,10H,3,5H2,1-2H3
InChIKeyCNMZOUKKNYIAOS-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine (CID 66223681) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is CNMZOUKKNYIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-6(2)3-10-5-8-11-4-7(9)12-8/h4,6,10H,3,5H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 204.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66223681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).