4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride

C8H12Cl2N2S — CID 71755793

IUPAC4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCN(c1nc(CCl)cs1)C1CC1.Cl
InChIInChI=1S/C8H11ClN2S.ClH/c1-11(7-2-3-7)8-10-6(4-9)5-12-8;/h5,7H,2-4H2,1H3;1H
InChIKeyKVPHISUKTQPYSF-UHFFFAOYSA-N
MW239.17 g/mol
LogP2.90
Rot. Bonds3

About 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride

4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 71755793) has the molecular formula C8H12Cl2N2S and a molecular weight of 239.17 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID71755793
Molecular FormulaC8H12Cl2N2S
Molecular Weight239.17 g/mol
Exact Mass238.01
IUPAC Name4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
SMILESCN(c1nc(CCl)cs1)C1CC1.Cl
InChIInChI=1S/C8H11ClN2S.ClH/c1-11(7-2-3-7)8-10-6(4-9)5-12-8;/h5,7H,2-4H2,1H3;1H
InChIKeyKVPHISUKTQPYSF-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 43532067
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
N-cyclopropyl-4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 71915898
N-cyclopropyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 130693733
2-chloro-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392188
4-(aminomethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82745215
N-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-methylcycloheptanamine
CID 43614325
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
2-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190462
4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 71968937
4-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81062599
N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide
CID 71852307

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride (CID 71755793) is 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride is CN(c1nc(CCl)cs1)C1CC1.Cl.
What is the InChIKey of 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is KVPHISUKTQPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S.ClH/c1-11(7-2-3-7)8-10-6(4-9)5-12-8;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride?
4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 239.17 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 71755793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).