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

C9H15ClN2S — CID 104555115

IUPAC1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1nc(CN(C)C(C)CCl)cs1
InChIInChI=1S/C9H15ClN2S/c1-7(4-10)12(3)5-9-6-13-8(2)11-9/h6-7H,4-5H2,1-3H3
InChIKeyGBQPSACJZGHDCD-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.51
Rot. Bonds4

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

1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 104555115) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID104555115
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1nc(CN(C)C(C)CCl)cs1
InChIInChI=1S/C9H15ClN2S/c1-7(4-10)12(3)5-9-6-13-8(2)11-9/h6-7H,4-5H2,1-3H3
InChIKeyGBQPSACJZGHDCD-UHFFFAOYSA-N
XLogP2.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55073872
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
CID 63585046
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
1-chloro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 79245829

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 104555115) is 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is Cc1nc(CN(C)C(C)CCl)cs1.
What is the InChIKey of 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is GBQPSACJZGHDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-7(4-10)12(3)5-9-6-13-8(2)11-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 218.75 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 104555115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).