3-propan-2-yl-2H-1,3-thiazole

C6H11NS — CID 22091758

IUPAC3-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)N1C=CSC1
InChIInChI=1S/C6H11NS/c1-6(2)7-3-4-8-5-7/h3-4,6H,5H2,1-2H3
InChIKeySTPAPFCVPAZIGB-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.87
Rot. Bonds1

About 3-propan-2-yl-2H-1,3-thiazole

3-propan-2-yl-2H-1,3-thiazole (PubChem CID 22091758) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-propan-2-yl-2H-1,3-thiazole
PubChem CID22091758
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)N1C=CSC1
InChIInChI=1S/C6H11NS/c1-6(2)7-3-4-8-5-7/h3-4,6H,5H2,1-2H3
InChIKeySTPAPFCVPAZIGB-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-thiazole
CID 15407522
3-ethyl-2H-1,3-thiazole
CID 18381193
3-ethyl-2-methyl-2H-1,3-thiazole
CID 19366383
2-methyl-3-propyl-2H-1,3-thiazole
CID 22419292
2,3-dimethyl-2H-1,3-thiazole
CID 23182463
2(3H)-Thiazolethione, 3-(1-methylethyl)-
CID 45096102
3-Ethyl-2-methylidene-1,3-thiazole
CID 53650336
3-propyl-2H-1,3-thiazole
CID 54072042
3-butyl-2H-1,3-thiazole
CID 57017681
3-Propan-2-yl-2-propan-2-ylidene-1,3-thiazole
CID 57686805
3-Tert-butyl-2-methylidene-1,3-thiazole
CID 58336928
3-Methyl-2-methylidene-1,3-thiazole
CID 59165032

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 3-propan-2-yl-2H-1,3-thiazole (CID 22091758) is 3-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 3-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 3-propan-2-yl-2H-1,3-thiazole is CC(C)N1C=CSC1.
What is the InChIKey of 3-propan-2-yl-2H-1,3-thiazole?
The InChIKey is STPAPFCVPAZIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(2)7-3-4-8-5-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-propan-2-yl-2H-1,3-thiazole?
3-propan-2-yl-2H-1,3-thiazole has a molecular weight of 129.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 22091758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).