(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine

C13H14N2S — CID 81174347

IUPAC(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(C2CC2)nc1-c1ccccc1
InChIInChI=1S/C13H14N2S/c14-8-11-12(9-4-2-1-3-5-9)15-13(16-11)10-6-7-10/h1-5,10H,6-8,14H2
InChIKeyMPYLBPNGHZDVPB-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.15
Rot. Bonds3

About (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine

(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine (PubChem CID 81174347) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
PubChem CID81174347
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(C2CC2)nc1-c1ccccc1
InChIInChI=1S/C13H14N2S/c14-8-11-12(9-4-2-1-3-5-9)15-13(16-11)10-6-7-10/h1-5,10H,6-8,14H2
InChIKeyMPYLBPNGHZDVPB-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5,6-dimethyl-1,4-dithian-2-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 103346725
[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62765321
[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81174268
2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 80620280
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688
[2-(4,4-dimethylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62931710
5-(aminomethyl)-N,N-diethyl-4-phenyl-1,3-thiazol-2-amine
CID 62765496
5-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 62769279
[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177624
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81173380
N-[[2-(oxan-3-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81177510

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine (CID 81174347) is (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine is NCc1sc(C2CC2)nc1-c1ccccc1.
What is the InChIKey of (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is MPYLBPNGHZDVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-8-11-12(9-4-2-1-3-5-9)15-13(16-11)10-6-7-10/h1-5,10H,6-8,14H2.
What are the key properties of (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine?
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 230.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 81174347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).