5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine

C13H23N3S — CID 79772441

IUPAC5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCCC1CCCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C13H23N3S/c1-2-4-11-5-3-7-16(8-6-11)10-12-9-15-13(14)17-12/h9,11H,2-8,10H2,1H3,(H2,14,15)
InChIKeyDRDYNWPOLQGNMV-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.13
Rot. Bonds4

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

5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79772441) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79772441
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCCC1CCCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C13H23N3S/c1-2-4-11-5-3-7-16(8-6-11)10-12-9-15-13(14)17-12/h9,11H,2-8,10H2,1H3,(H2,14,15)
InChIKeyDRDYNWPOLQGNMV-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine (CID 79772441) is 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine is CCCC1CCCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DRDYNWPOLQGNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-2-4-11-5-3-7-16(8-6-11)10-12-9-15-13(14)17-12/h9,11H,2-8,10H2,1H3,(H2,14,15).
What are the key properties of 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).