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

C14H26N2S — CID 63951458

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
SMILESCCCCC(CC)(NCCC)c1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-5-8-9-14(7-3,15-10-6-2)13-16-12(4)11-17-13/h11,15H,5-10H2,1-4H3
InChIKeyDPAVPPZMYKLQER-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.25
Rot. Bonds8

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

3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine (PubChem CID 63951458) 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-propylheptan-3-amine.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
PubChem CID63951458
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
SMILESCCCCC(CC)(NCCC)c1nc(C)cs1
InChIInChI=1S/C14H26N2S/c1-5-8-9-14(7-3,15-10-6-2)13-16-12(4)11-17-13/h11,15H,5-10H2,1-4H3
InChIKeyDPAVPPZMYKLQER-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953061
3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
CID 63952060
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 61330642
N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953260
3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61332999
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
CID 64917236
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61330206
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 113490150
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine (CID 63951458) is 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine is CCCCC(CC)(NCCC)c1nc(C)cs1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
The InChIKey is DPAVPPZMYKLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-8-9-14(7-3,15-10-6-2)13-16-12(4)11-17-13/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine has a molecular weight of 254.44 g/mol, XLogP of 4.25, 8 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-propylheptan-3-amine is sourced from PubChem (CID 63951458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).