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

C13H11N3S2 — CID 113224729

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(CNc3nccs3)n2)cc1
InChIInChI=1S/C13H11N3S2/c1-2-4-10(5-3-1)11-9-18-12(16-11)8-15-13-14-6-7-17-13/h1-7,9H,8H2,(H,14,15)
InChIKeyZXNUTYXGHGDGLK-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.88
Rot. Bonds4

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

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 113224729) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID113224729
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(CNc3nccs3)n2)cc1
InChIInChI=1S/C13H11N3S2/c1-2-4-10(5-3-1)11-9-18-12(16-11)8-15-13-14-6-7-17-13/h1-7,9H,8H2,(H,14,15)
InChIKeyZXNUTYXGHGDGLK-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 30485889
[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol
CID 62900357
N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 4711877
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
3-chloro-5-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 107364381
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 113224729) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine is c1ccc(-c2csc(CNc3nccs3)n2)cc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZXNUTYXGHGDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c1-2-4-10(5-3-1)11-9-18-12(16-11)8-15-13-14-6-7-17-13/h1-7,9H,8H2,(H,14,15).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 273.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 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]-1,3-thiazol-2-amine is sourced from PubChem (CID 113224729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).