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

C18H15N5S — CID 133407138

IUPAC4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NCc3ccc(-n4cncn4)cc3)n2)cc1
InChIInChI=1S/C18H15N5S/c1-2-4-15(5-3-1)17-11-24-18(22-17)20-10-14-6-8-16(9-7-14)23-13-19-12-21-23/h1-9,11-13H,10H2,(H,20,22)
InChIKeyKKOOIEKUXUNCHH-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.00
Rot. Bonds5

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

4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 133407138) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID133407138
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NCc3ccc(-n4cncn4)cc3)n2)cc1
InChIInChI=1S/C18H15N5S/c1-2-4-15(5-3-1)17-11-24-18(22-17)20-10-14-6-8-16(9-7-14)23-13-19-12-21-23/h1-9,11-13H,10H2,(H,20,22)
InChIKeyKKOOIEKUXUNCHH-UHFFFAOYSA-N
XLogP4.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371109
methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
CID 133387998
1-ethyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111553550
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
N-[(3,4-dichlorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60928159
N-(3-phenylpropyl)-4-(1,2,4-triazol-1-yl)aniline
CID 60945273

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine (CID 133407138) is 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine is c1ccc(-c2csc(NCc3ccc(-n4cncn4)cc3)n2)cc1.
What is the InChIKey of 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is KKOOIEKUXUNCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-2-4-15(5-3-1)17-11-24-18(22-17)20-10-14-6-8-16(9-7-14)23-13-19-12-21-23/h1-9,11-13H,10H2,(H,20,22).
What are the key properties of 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine?
4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 333.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133407138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).