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

C10H13F2NS — CID 158162032

IUPAC2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole
SMILESC/C(F)=C(/F)CCCc1ncc(C)s1
InChIInChI=1S/C10H13F2NS/c1-7-6-13-10(14-7)5-3-4-9(12)8(2)11/h6H,3-5H2,1-2H3/b9-8-
InChIKeyFWJRTJCKSXNFHA-HJWRWDBZSA-N
MW217.28 g/mol
LogP3.94
Rot. Bonds4

About 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole

2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole (PubChem CID 158162032) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole
PubChem CID158162032
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole
SMILESC/C(F)=C(/F)CCCc1ncc(C)s1
InChIInChI=1S/C10H13F2NS/c1-7-6-13-10(14-7)5-3-4-9(12)8(2)11/h6H,3-5H2,1-2H3/b9-8-
InChIKeyFWJRTJCKSXNFHA-HJWRWDBZSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
5-Methyl-2-pentylthiazole
CID 55296073
2-Ethyl-5-methylthiazole
CID 519733
2,5-Dipropylthiazole
CID 588151
2-Butyl-5-methylthiazole
CID 574900
2-Methyl-5-propylthiazole
CID 574547
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065
2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
CID 58305844
5-Methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005651

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole (CID 158162032) is 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole is C/C(F)=C(/F)CCCc1ncc(C)s1.
What is the InChIKey of 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole?
The InChIKey is FWJRTJCKSXNFHA-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-7-6-13-10(14-7)5-3-4-9(12)8(2)11/h6H,3-5H2,1-2H3/b9-8-.
What are the key properties of 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole?
2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole has a molecular weight of 217.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 158162032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).