2,5-di(propan-2-yl)-1,3-thiazole

C9H15NS — CID 18343478

IUPAC2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C9H15NS/c1-6(2)8-5-10-9(11-8)7(3)4/h5-7H,1-4H3
InChIKeyPHAPWDCPWSDEHB-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.39
Rot. Bonds2

About 2,5-di(propan-2-yl)-1,3-thiazole

2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 18343478) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID18343478
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C9H15NS/c1-6(2)8-5-10-9(11-8)7(3)4/h5-7H,1-4H3
InChIKeyPHAPWDCPWSDEHB-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Dimethylthiazole
CID 77837
2,5-Diethylthiazole
CID 85073
5-Methyl-2-pentylthiazole
CID 55296073
5-Ethylthiazole
CID 519456
2-Ethyl-5-methylthiazole
CID 519733
2-Bromo-5-tert-butyl-1,3-thiazole
CID 59599056
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2,5-Dipropylthiazole
CID 588151
2-Butyl-5-methylthiazole
CID 574900
Thiazole, 5-propyl-
CID 40379

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 2,5-di(propan-2-yl)-1,3-thiazole (CID 18343478) is 2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3-thiazole is CC(C)c1cnc(C(C)C)s1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is PHAPWDCPWSDEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)8-5-10-9(11-8)7(3)4/h5-7H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3-thiazole?
2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 18343478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).