N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C15H15N5S — CID 61281692

IUPACN-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc(-n2ncc(-c3nc(CNC4CC4)cs3)n2)cc1
InChIInChI=1S/C15H15N5S/c1-2-4-13(5-3-1)20-17-9-14(19-20)15-18-12(10-21-15)8-16-11-6-7-11/h1-5,9-11,16H,6-8H2
InChIKeyVUIYSUJONOZRHV-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.64
Rot. Bonds5

About N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 61281692) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID61281692
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC NameN-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc(-n2ncc(-c3nc(CNC4CC4)cs3)n2)cc1
InChIInChI=1S/C15H15N5S/c1-2-4-13(5-3-1)20-17-9-14(19-20)15-18-12(10-21-15)8-16-11-6-7-11/h1-5,9-11,16H,6-8H2
InChIKeyVUIYSUJONOZRHV-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
CID 43778614
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 168890470
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61282037
1-benzyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 56718052
2,2,3,3-tetramethyl-N-[(2-phenyltriazol-4-yl)methyl]cyclopropan-1-amine
CID 79353260
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
CID 83228649

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 61281692) is N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is c1ccc(-n2ncc(-c3nc(CNC4CC4)cs3)n2)cc1.
What is the InChIKey of N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is VUIYSUJONOZRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-4-13(5-3-1)20-17-9-14(19-20)15-18-12(10-21-15)8-16-11-6-7-11/h1-5,9-11,16H,6-8H2.
What are the key properties of N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 297.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenyltriazol-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61281692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).