1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C14H16N2S — CID 79978937

IUPAC1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccc(C3CC3)cc2)n1
InChIInChI=1S/C14H16N2S/c1-3-12(13-5-6-13)4-2-11(1)9-15-10-14-16-7-8-17-14/h1-4,7-8,13,15H,5-6,9-10H2
InChIKeyPPJVOOOBNUPCDW-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 79978937) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID79978937
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCc2ccc(C3CC3)cc2)n1
InChIInChI=1S/C14H16N2S/c1-3-12(13-5-6-13)4-2-11(1)9-15-10-14-16-7-8-17-14/h1-4,7-8,13,15H,5-6,9-10H2
InChIKeyPPJVOOOBNUPCDW-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 79978937) is 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCc2ccc(C3CC3)cc2)n1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is PPJVOOOBNUPCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-3-12(13-5-6-13)4-2-11(1)9-15-10-14-16-7-8-17-14/h1-4,7-8,13,15H,5-6,9-10H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 79978937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).