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

C15H28N2S — CID 61330642

IUPAC5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
SMILESCCCNC(CC)(CC(C)CC)c1nc(C)cs1
InChIInChI=1S/C15H28N2S/c1-6-9-16-15(8-3,10-12(4)7-2)14-17-13(5)11-18-14/h11-12,16H,6-10H2,1-5H3
InChIKeyLOFZDUICOVUCSQ-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.49
Rot. Bonds8

About 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine

5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine (PubChem CID 61330642) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine.

Molecular Properties

Compound Name5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
PubChem CID61330642
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
SMILESCCCNC(CC)(CC(C)CC)c1nc(C)cs1
InChIInChI=1S/C15H28N2S/c1-6-9-16-15(8-3,10-12(4)7-2)14-17-13(5)11-18-14/h11-12,16H,6-10H2,1-5H3
InChIKeyLOFZDUICOVUCSQ-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 63951458
3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61332999
3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
CID 63952060
N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953061
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
CID 64917236
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371
2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)heptan-4-amine
CID 114868540
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 113490150
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine
CID 61333820
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
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 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
The IUPAC name of 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine (CID 61330642) is 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine.
What is the SMILES notation for 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
The canonical SMILES for 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine is CCCNC(CC)(CC(C)CC)c1nc(C)cs1.
What is the InChIKey of 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
The InChIKey is LOFZDUICOVUCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-9-16-15(8-3,10-12(4)7-2)14-17-13(5)11-18-14/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine?
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine has a molecular weight of 268.47 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine is sourced from PubChem (CID 61330642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).