5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine

C20H37N3S — CID 91042392

IUPAC5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCC1(NCCc2cnc(N)s2)CCCCCCCCCCCCC1
InChIInChI=1S/C20H37N3S/c1-20(23-16-13-18-17-22-19(21)24-18)14-11-9-7-5-3-2-4-6-8-10-12-15-20/h17,23H,2-16H2,1H3,(H2,21,22)
InChIKeyPFFZWCRGDKNQRY-UHFFFAOYSA-N
MW351.60 g/mol
LogP5.70
Rot. Bonds4

About 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine

5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 91042392) has the molecular formula C20H37N3S and a molecular weight of 351.60 g/mol. Its IUPAC name is 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID91042392
Molecular FormulaC20H37N3S
Molecular Weight351.60 g/mol
Exact Mass351.27
IUPAC Name5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCC1(NCCc2cnc(N)s2)CCCCCCCCCCCCC1
InChIInChI=1S/C20H37N3S/c1-20(23-16-13-18-17-22-19(21)24-18)14-11-9-7-5-3-2-4-6-8-10-12-15-20/h17,23H,2-16H2,1H3,(H2,21,22)
InChIKeyPFFZWCRGDKNQRY-UHFFFAOYSA-N
XLogP5.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.60
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine (CID 91042392) is 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine is CC1(NCCc2cnc(N)s2)CCCCCCCCCCCCC1.
What is the InChIKey of 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is PFFZWCRGDKNQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3S/c1-20(23-16-13-18-17-22-19(21)24-18)14-11-9-7-5-3-2-4-6-8-10-12-15-20/h17,23H,2-16H2,1H3,(H2,21,22).
What are the key properties of 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine?
5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 351.60 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91042392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).