3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine

C14H26N2S — CID 63952060

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
SMILESCCCCC(CC)(NC(C)C)c1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-6-8-9-14(7-2,16-11(3)4)13-15-12(5)10-17-13/h10-11,16H,6-9H2,1-5H3
InChIKeyHQDQDHYOGIEZQF-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.25
Rot. Bonds7

About 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine

3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine (PubChem CID 63952060) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
PubChem CID63952060
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
SMILESCCCCC(CC)(NC(C)C)c1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-6-8-9-14(7-2,16-11(3)4)13-15-12(5)10-17-13/h10-11,16H,6-9H2,1-5H3
InChIKeyHQDQDHYOGIEZQF-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine (CID 63952060) is 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine is CCCCC(CC)(NC(C)C)c1nc(C)cs1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine?
The InChIKey is HQDQDHYOGIEZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-8-9-14(7-2,16-11(3)4)13-15-12(5)10-17-13/h10-11,16H,6-9H2,1-5H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine?
3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine has a molecular weight of 254.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine is sourced from PubChem (CID 63952060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).