N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine

C13H14N2S — CID 81174282

IUPACN-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2ncsc2CNC2CC2)cc1
InChIInChI=1S/C13H14N2S/c1-2-4-10(5-3-1)13-12(16-9-15-13)8-14-11-6-7-11/h1-5,9,11,14H,6-8H2
InChIKeyMKJLFQIDQYKSDU-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine

N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 81174282) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID81174282
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2ncsc2CNC2CC2)cc1
InChIInChI=1S/C13H14N2S/c1-2-4-10(5-3-1)13-12(16-9-15-13)8-14-11-6-7-11/h1-5,9,11,14H,6-8H2
InChIKeyMKJLFQIDQYKSDU-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174433
5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 117214529
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 62764504
2-(4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 28948458
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]cyclopropanamine
CID 114749039
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenyl-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 90405784
(2R,4S)-1-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 96533537
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
CID 65209746

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 81174282) is N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine is c1ccc(-c2ncsc2CNC2CC2)cc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is MKJLFQIDQYKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-4-10(5-3-1)13-12(16-9-15-13)8-14-11-6-7-11/h1-5,9,11,14H,6-8H2.
What are the key properties of N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 230.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81174282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).