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

C14H16N2S — CID 114994384

IUPACN-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nc(CNC2CC2)sc1-c1ccccc1
InChIInChI=1S/C14H16N2S/c1-10-14(11-5-3-2-4-6-11)17-13(16-10)9-15-12-7-8-12/h2-6,12,15H,7-9H2,1H3
InChIKeyDUJKGOWADGEFGU-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.37
Rot. Bonds4

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

N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 114994384) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID114994384
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1nc(CNC2CC2)sc1-c1ccccc1
InChIInChI=1S/C14H16N2S/c1-10-14(11-5-3-2-4-6-11)17-13(16-10)9-15-12-7-8-12/h2-6,12,15H,7-9H2,1H3
InChIKeyDUJKGOWADGEFGU-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 114994384) is N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is Cc1nc(CNC2CC2)sc1-c1ccccc1.
What is the InChIKey of N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is DUJKGOWADGEFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-14(11-5-3-2-4-6-11)17-13(16-10)9-15-12-7-8-12/h2-6,12,15H,7-9H2,1H3.
What are the key properties of N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 244.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114994384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).