N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

C14H24N2S — CID 62403380

IUPACN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C14H24N2S/c1-3-9-15-10-13-11(2)16-14(17-13)12-7-5-4-6-8-12/h12,15H,3-10H2,1-2H3
InChIKeyQOIOOBVXXAPZML-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.00
Rot. Bonds5

About N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 62403380) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID62403380
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C14H24N2S/c1-3-9-15-10-13-11(2)16-14(17-13)12-7-5-4-6-8-12/h12,15H,3-10H2,1-2H3
InChIKeyQOIOOBVXXAPZML-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 62403380) is N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCCNCc1sc(C2CCCCC2)nc1C.
What is the InChIKey of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is QOIOOBVXXAPZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-9-15-10-13-11(2)16-14(17-13)12-7-5-4-6-8-12/h12,15H,3-10H2,1-2H3.
What are the key properties of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 62403380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).