(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole

C10H12FNS — CID 178009408

IUPAC(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
SMILESC=C(/C(F)=c1/scnc1=C)C(C)C
InChIInChI=1S/C10H12FNS/c1-6(2)7(3)9(11)10-8(4)12-5-13-10/h5-6H,3-4H2,1-2H3/b10-9-
InChIKeyZIOIMSHLTBEXKM-KTKRTIGZSA-N
MW197.28 g/mol
LogP1.84
Rot. Bonds2

About (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole

(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole (PubChem CID 178009408) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
PubChem CID178009408
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
SMILESC=C(/C(F)=c1/scnc1=C)C(C)C
InChIInChI=1S/C10H12FNS/c1-6(2)7(3)9(11)10-8(4)12-5-13-10/h5-6H,3-4H2,1-2H3/b10-9-
InChIKeyZIOIMSHLTBEXKM-KTKRTIGZSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
CID 170755631
7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
5-Fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 170756304
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
4-(2-Methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
CID 91027427
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
CID 142847482
5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
CID 143657117
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazole
CID 144598129

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole?
The IUPAC name of (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole (CID 178009408) is (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole?
The canonical SMILES for (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole is C=C(/C(F)=c1/scnc1=C)C(C)C.
What is the InChIKey of (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole?
The InChIKey is ZIOIMSHLTBEXKM-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H12FNS/c1-6(2)7(3)9(11)10-8(4)12-5-13-10/h5-6H,3-4H2,1-2H3/b10-9-.
What are the key properties of (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole?
(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole has a molecular weight of 197.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole is sourced from PubChem (CID 178009408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).