1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine

C9H16N2S — CID 62652679

IUPAC1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCCc1csc(CC(C)N)n1
InChIInChI=1S/C9H16N2S/c1-3-4-8-6-12-9(11-8)5-7(2)10/h6-7H,3-5,10H2,1-2H3
InChIKeyLQTOJXIFJUIONQ-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine

1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 62652679) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID62652679
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCCc1csc(CC(C)N)n1
InChIInChI=1S/C9H16N2S/c1-3-4-8-6-12-9(11-8)5-7(2)10/h6-7H,3-5,10H2,1-2H3
InChIKeyLQTOJXIFJUIONQ-UHFFFAOYSA-N
XLogP1.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentyl-4-propyl-1,3-thiazole
CID 55271530
2-octyl-4-propyl-1,3-thiazole
CID 86124626
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
CID 116890720
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile
CID 150338018

Frequently Asked Questions

What is the IUPAC name of 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine (CID 62652679) is 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine is CCCc1csc(CC(C)N)n1.
What is the InChIKey of 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is LQTOJXIFJUIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-3-4-8-6-12-9(11-8)5-7(2)10/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine?
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 62652679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).