4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine

C16H27N3S — CID 63916176

IUPAC4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C16H27N3S/c1-3-4-5-10-19(2)16-18-15(12-6-7-12)14(20-16)11-17-13-8-9-13/h12-13,17H,3-11H2,1-2H3
InChIKeyVQMVNFZUQRMQAM-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.90
Rot. Bonds9

About 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine

4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine (PubChem CID 63916176) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine
PubChem CID63916176
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(C2CC2)c(CNC2CC2)s1
InChIInChI=1S/C16H27N3S/c1-3-4-5-10-19(2)16-18-15(12-6-7-12)14(20-16)11-17-13-8-9-13/h12-13,17H,3-11H2,1-2H3
InChIKeyVQMVNFZUQRMQAM-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine (CID 63916176) is 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine is CCCCCN(C)c1nc(C2CC2)c(CNC2CC2)s1.
What is the InChIKey of 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The InChIKey is VQMVNFZUQRMQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-4-5-10-19(2)16-18-15(12-6-7-12)14(20-16)11-17-13-8-9-13/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63916176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).