N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine

C21H20N4S — CID 133371109

IUPACN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1nccn1Cc1cccc(CNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C21H20N4S/c1-16-22-10-11-25(16)14-18-7-5-6-17(12-18)13-23-21-24-20(15-26-21)19-8-3-2-4-9-19/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyGNNVEPWUBZEPRP-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.98
Rot. Bonds6

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

N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133371109) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133371109
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC NameN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1nccn1Cc1cccc(CNc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C21H20N4S/c1-16-22-10-11-25(16)14-18-7-5-6-17(12-18)13-23-21-24-20(15-26-21)19-8-3-2-4-9-19/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyGNNVEPWUBZEPRP-UHFFFAOYSA-N
XLogP4.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide
CID 133351194
1-benzyl-2-methylimidazole
CID 158634472
4-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]quinoline-2-carbonitrile
CID 133351134
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947991
6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
CID 133351114
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
(2S)-2-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-5-phenylpentanamide
CID 97258739
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372654
2-methyl-1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111004748
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 54896746
1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86992760

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine (CID 133371109) is N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine is Cc1nccn1Cc1cccc(CNc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is GNNVEPWUBZEPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-16-22-10-11-25(16)14-18-7-5-6-17(12-18)13-23-21-24-20(15-26-21)19-8-3-2-4-9-19/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 360.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133371109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).