N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine

C13H13N5S — CID 62900544

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESc1ccc(-c2csc(CNCc3ncn[nH]3)n2)cc1
InChIInChI=1S/C13H13N5S/c1-2-4-10(5-3-1)11-8-19-13(17-11)7-14-6-12-15-9-16-18-12/h1-5,8-9,14H,6-7H2,(H,15,16,18)
InChIKeyUTPYDADCPJVUAB-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.22
Rot. Bonds5

About N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 62900544) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID62900544
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESc1ccc(-c2csc(CNCc3ncn[nH]3)n2)cc1
InChIInChI=1S/C13H13N5S/c1-2-4-10(5-3-1)11-8-19-13(17-11)7-14-6-12-15-9-16-18-12/h1-5,8-9,14H,6-7H2,(H,15,16,18)
InChIKeyUTPYDADCPJVUAB-UHFFFAOYSA-N
XLogP2.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine 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-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64519546
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702011
4-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
CID 18708680
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 113224729
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260346
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 62900544) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine is c1ccc(-c2csc(CNCc3ncn[nH]3)n2)cc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is UTPYDADCPJVUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-2-4-10(5-3-1)11-8-19-13(17-11)7-14-6-12-15-9-16-18-12/h1-5,8-9,14H,6-7H2,(H,15,16,18).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 271.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 62900544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).