2,5-dipropyl-1,3-thiazole

C9H15NS — CID 588151

IUPAC2,5-dipropyl-1,3-thiazole
SMILESCCCc1cnc(CCC)s1
InChIInChI=1S/C9H15NS/c1-3-5-8-7-10-9(11-8)6-4-2/h7H,3-6H2,1-2H3
InChIKeyCXXDPLSFABWHEQ-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.05
Rot. Bonds4

About 2,5-dipropyl-1,3-thiazole

2,5-dipropyl-1,3-thiazole (PubChem CID 588151) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2,5-dipropyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dipropyl-1,3-thiazole
PubChem CID588151
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2,5-dipropyl-1,3-thiazole
SMILESCCCc1cnc(CCC)s1
InChIInChI=1S/C9H15NS/c1-3-5-8-7-10-9(11-8)6-4-2/h7H,3-6H2,1-2H3
InChIKeyCXXDPLSFABWHEQ-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-propyl-1,3-thiazol-2-yl)methanamine
CID 4036260
5-(bromomethyl)-2-propyl-1,3-thiazole
CID 82422468
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
2-chloro-5-propyl-1,3-thiazole
CID 56625607
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
3-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115089682
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
CID 61282306
2-(5-hexyl-1,3-thiazol-2-yl)acetic acid
CID 3681414
1-[4-(1,3-dioxolan-2-yl)phenyl]-N-[(2-propyl-1,3-thiazol-5-yl)methyl]methanamine
CID 75380253
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381

Frequently Asked Questions

What is the IUPAC name of 2,5-dipropyl-1,3-thiazole?
The IUPAC name of 2,5-dipropyl-1,3-thiazole (CID 588151) is 2,5-dipropyl-1,3-thiazole.
What is the SMILES notation for 2,5-dipropyl-1,3-thiazole?
The canonical SMILES for 2,5-dipropyl-1,3-thiazole is CCCc1cnc(CCC)s1.
What is the InChIKey of 2,5-dipropyl-1,3-thiazole?
The InChIKey is CXXDPLSFABWHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-5-8-7-10-9(11-8)6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 2,5-dipropyl-1,3-thiazole?
2,5-dipropyl-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropyl-1,3-thiazole is sourced from PubChem (CID 588151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).