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

C13H21ClN2S — CID 55256339

IUPAC1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCC(c1nc(CCl)cs1)N(C)CC1CC1C
InChIInChI=1S/C13H21ClN2S/c1-4-12(13-15-11(6-14)8-17-13)16(3)7-10-5-9(10)2/h8-10,12H,4-7H2,1-3H3
InChIKeyLVZMBSNBUFMRSP-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.92
Rot. Bonds6

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

1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 55256339) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID55256339
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCC(c1nc(CCl)cs1)N(C)CC1CC1C
InChIInChI=1S/C13H21ClN2S/c1-4-12(13-15-11(6-14)8-17-13)16(3)7-10-5-9(10)2/h8-10,12H,4-7H2,1-3H3
InChIKeyLVZMBSNBUFMRSP-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-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

1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 55227594
3-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl-methylamino]-N-methylpropanamide
CID 106917386
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865722
1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[1-(3-chlorophenyl)ethyl]-N-methylpropan-1-amine
CID 62978324
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474597
4-(chloromethyl)-2-[1-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1,3-thiazole
CID 79184549
4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
CID 71755793
N'-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226961
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116705113
4-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 43532078
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 63683180
4-(chloromethyl)-2-[1-(1,1,1-trifluoropropan-2-yloxy)propyl]-1,3-thiazole
CID 66276349

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine (CID 55256339) is 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine is CCC(c1nc(CCl)cs1)N(C)CC1CC1C.
What is the InChIKey of 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is LVZMBSNBUFMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-4-12(13-15-11(6-14)8-17-13)16(3)7-10-5-9(10)2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine?
1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 272.84 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 55256339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).