4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole

C9H15NS — CID 167199865

IUPAC4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole
SMILESC=C(C)N1CSC=C1C(C)C
InChIInChI=1S/C9H15NS/c1-7(2)9-5-11-6-10(9)8(3)4/h5,7H,3,6H2,1-2,4H3
InChIKeyLBDUVCXDKDRAMO-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.02
Rot. Bonds2

About 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole

4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole (PubChem CID 167199865) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole
PubChem CID167199865
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole
SMILESC=C(C)N1CSC=C1C(C)C
InChIInChI=1S/C9H15NS/c1-7(2)9-5-11-6-10(9)8(3)4/h5,7H,3,6H2,1-2,4H3
InChIKeyLBDUVCXDKDRAMO-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-butyl-4-methyl-2H-1,3-thiazole
CID 91246770
4-ethyl-3-methyl-2H-1,3-thiazole
CID 22615132
3,4-di(propan-2-yl)-2H-1,3-thiazole
CID 121260868
4-tert-butyl-3-methyl-2H-1,3-thiazole
CID 143329221
2-iodo-3-methyl-4-propan-2-yl-2H-1,3-thiazole
CID 146618341
3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
CID 154535860
4-tert-butyl-3-propan-2-yl-2H-1,3-thiazole
CID 164786439
2(3H)-Thiazolethione, 3-methyl-4-(1-methylethyl)-
CID 45096591
3-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine
CID 130621119
3-Ethyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole
CID 133622378
3-(3-Methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574323

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole?
The IUPAC name of 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole (CID 167199865) is 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole?
The canonical SMILES for 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole is C=C(C)N1CSC=C1C(C)C.
What is the InChIKey of 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole?
The InChIKey is LBDUVCXDKDRAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)9-5-11-6-10(9)8(3)4/h5,7H,3,6H2,1-2,4H3.
What are the key properties of 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole?
4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 167199865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).