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

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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).