4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole

C10H15NS — CID 142272163

IUPAC4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole
SMILESCc1scnc1/C=C\C(C)(C)C
InChIInChI=1S/C10H15NS/c1-8-9(11-7-12-8)5-6-10(2,3)4/h5-7H,1-4H3/b6-5-
InChIKeyAAGCRQXDWPFAFS-WAYWQWQTSA-N
MW181.30 g/mol
LogP3.51
Rot. Bonds1

About 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole

4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole (PubChem CID 142272163) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole
PubChem CID142272163
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole
SMILESCc1scnc1/C=C\C(C)(C)C
InChIInChI=1S/C10H15NS/c1-8-9(11-7-12-8)5-6-10(2,3)4/h5-7H,1-4H3/b6-5-
InChIKeyAAGCRQXDWPFAFS-WAYWQWQTSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole?
The IUPAC name of 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole (CID 142272163) is 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole is Cc1scnc1/C=C\C(C)(C)C.
What is the InChIKey of 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole?
The InChIKey is AAGCRQXDWPFAFS-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15NS/c1-8-9(11-7-12-8)5-6-10(2,3)4/h5-7H,1-4H3/b6-5-.
What are the key properties of 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole?
4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 142272163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).