N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C15H23ClN4S — CID 131939819

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCCc1nc(Cl)c(CN(C)CCc2scnc2C)[nH]1
InChIInChI=1S/C15H23ClN4S/c1-4-5-6-14-18-12(15(16)19-14)9-20(3)8-7-13-11(2)17-10-21-13/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyFVNRTDOSVOGNRF-UHFFFAOYSA-N
MW326.90 g/mol
LogP3.85
Rot. Bonds8

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 131939819) has the molecular formula C15H23ClN4S and a molecular weight of 326.90 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID131939819
Molecular FormulaC15H23ClN4S
Molecular Weight326.90 g/mol
Exact Mass326.13
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCCCc1nc(Cl)c(CN(C)CCc2scnc2C)[nH]1
InChIInChI=1S/C15H23ClN4S/c1-4-5-6-14-18-12(15(16)19-14)9-20(3)8-7-13-11(2)17-10-21-13/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyFVNRTDOSVOGNRF-UHFFFAOYSA-N
XLogP3.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine 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

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 28641728
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 50975442
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 29258366
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
CID 78998272
4-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butan-2-ol
CID 115665735
4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azetidin-3-amine
CID 66188326
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 62635246
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79756670
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 131939819) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is CCCCc1nc(Cl)c(CN(C)CCc2scnc2C)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FVNRTDOSVOGNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4S/c1-4-5-6-14-18-12(15(16)19-14)9-20(3)8-7-13-11(2)17-10-21-13/h10H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 326.90 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 131939819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).