3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine

C13H24N2S — CID 105014894

IUPAC3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCNC(Cc1nccs1)C(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-5-6-14-12(11(4)10(2)3)9-13-15-7-8-16-13/h7-8,10-12,14H,5-6,9H2,1-4H3
InChIKeyNPUVUIRLBGCAIG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.35
Rot. Bonds7

About 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine

3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 105014894) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID105014894
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCNC(Cc1nccs1)C(C)C(C)C
InChIInChI=1S/C13H24N2S/c1-5-6-14-12(11(4)10(2)3)9-13-15-7-8-16-13/h7-8,10-12,14H,5-6,9H2,1-4H3
InChIKeyNPUVUIRLBGCAIG-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N-[1-pyridin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824684
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 61332596
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015268
N-[1-cyclopentyl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79825132
N-[1-(4-propan-2-ylthiadiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169200

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 105014894) is 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine is CCCNC(Cc1nccs1)C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is NPUVUIRLBGCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-6-14-12(11(4)10(2)3)9-13-15-7-8-16-13/h7-8,10-12,14H,5-6,9H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 105014894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).