N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

C17H20N4S — CID 47613943

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCCc1nc(CNC(c2ccccc2)c2nccn2C)cs1
InChIInChI=1S/C17H20N4S/c1-3-15-20-14(12-22-15)11-19-16(13-7-5-4-6-8-13)17-18-9-10-21(17)2/h4-10,12,16,19H,3,11H2,1-2H3
InChIKeyGAJKNZFPJFGHLZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.32
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (PubChem CID 47613943) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
PubChem CID47613943
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCCc1nc(CNC(c2ccccc2)c2nccn2C)cs1
InChIInChI=1S/C17H20N4S/c1-3-15-20-14(12-22-15)11-19-16(13-7-5-4-6-8-13)17-18-9-10-21(17)2/h4-10,12,16,19H,3,11H2,1-2H3
InChIKeyGAJKNZFPJFGHLZ-UHFFFAOYSA-N
XLogP3.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61044445
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 92854374
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (CID 47613943) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is CCc1nc(CNC(c2ccccc2)c2nccn2C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is GAJKNZFPJFGHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-3-15-20-14(12-22-15)11-19-16(13-7-5-4-6-8-13)17-18-9-10-21(17)2/h4-10,12,16,19H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 47613943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).