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

C17H21ClN2S — CID 63865722

IUPACN-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1ccccc1-c1nc(CCl)cs1
InChIInChI=1S/C17H21ClN2S/c1-12-7-14(12)10-20(2)9-13-5-3-4-6-16(13)17-19-15(8-18)11-21-17/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyNAASWZDZWCWRMI-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.64
Rot. Bonds6

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

N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 63865722) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID63865722
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC NameN-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1ccccc1-c1nc(CCl)cs1
InChIInChI=1S/C17H21ClN2S/c1-12-7-14(12)10-20(2)9-13-5-3-4-6-16(13)17-19-15(8-18)11-21-17/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyNAASWZDZWCWRMI-UHFFFAOYSA-N
XLogP4.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.64
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

N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methylethanamine
CID 43263635
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 43273971
1-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 55256339
4-(chloromethyl)-2-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole
CID 43138294
4-(chloromethyl)-2-[2-(pentoxymethyl)phenyl]-1,3-thiazole
CID 43275214
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
CID 43138436
2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
CID 154260992
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865938
2-methyl-N-[[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63865087
N-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylphenyl]methyl]-N-methylbutan-1-amine
CID 114484404
2-fluoro-3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]benzenecarbothioamide
CID 107115599
4-(chloromethyl)-2-[2-(furan-2-ylmethoxymethyl)phenyl]-1,3-thiazole
CID 43320209

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 63865722) is N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is CC1CC1CN(C)Cc1ccccc1-c1nc(CCl)cs1.
What is the InChIKey of N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is NAASWZDZWCWRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-12-7-14(12)10-20(2)9-13-5-3-4-6-16(13)17-19-15(8-18)11-21-17/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 320.89 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 63865722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).