(4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole

C10H13NS — CID 144599887

IUPAC(4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
SMILESC=C/C=c1/c(C(C)C)nsc1=C
InChIInChI=1S/C10H13NS/c1-5-6-9-8(4)12-11-10(9)7(2)3/h5-7H,1,4H2,2-3H3/b9-6+
InChIKeyPAPCGGPGDXUEDY-RMKNXTFCSA-N
MW179.29 g/mol
LogP1.64
Rot. Bonds2

About (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole

(4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole (PubChem CID 144599887) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole.

Molecular Properties

Compound Name(4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
PubChem CID144599887
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name(4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
SMILESC=C/C=c1/c(C(C)C)nsc1=C
InChIInChI=1S/C10H13NS/c1-5-6-9-8(4)12-11-10(9)7(2)3/h5-7H,1,4H2,2-3H3/b9-6+
InChIKeyPAPCGGPGDXUEDY-RMKNXTFCSA-N
XLogP1.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
The IUPAC name of (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole (CID 144599887) is (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole.
What is the SMILES notation for (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
The canonical SMILES for (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole is C=C/C=c1/c(C(C)C)nsc1=C.
What is the InChIKey of (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
The InChIKey is PAPCGGPGDXUEDY-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H13NS/c1-5-6-9-8(4)12-11-10(9)7(2)3/h5-7H,1,4H2,2-3H3/b9-6+.
What are the key properties of (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
(4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole has a molecular weight of 179.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole is sourced from PubChem (CID 144599887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).