3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine

C9H13ClN2S — CID 106437542

IUPAC3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCc1nc(C)cs1
InChIInChI=1S/C9H13ClN2S/c1-7(3-10)4-11-5-9-12-8(2)6-13-9/h3,6,11H,4-5H2,1-2H3
InChIKeyPBYABXKAXXIQPA-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.68
Rot. Bonds4

About 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine

3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine (PubChem CID 106437542) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine
PubChem CID106437542
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine
SMILESCC(=CCl)CNCc1nc(C)cs1
InChIInChI=1S/C9H13ClN2S/c1-7(3-10)4-11-5-9-12-8(2)6-13-9/h3,6,11H,4-5H2,1-2H3
InChIKeyPBYABXKAXXIQPA-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]but-2-enoic acid
CID 103242297
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043383
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
1-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60759989
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2-chloro-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107155892
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine (CID 106437542) is 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine is CC(=CCl)CNCc1nc(C)cs1.
What is the InChIKey of 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is PBYABXKAXXIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-7(3-10)4-11-5-9-12-8(2)6-13-9/h3,6,11H,4-5H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine?
3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 216.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106437542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).