(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole

C10H15NS — CID 155044425

IUPAC(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole
SMILESC/C=c1/ncs/c1=C/CC(C)C
InChIInChI=1S/C10H15NS/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4,6-8H,5H2,1-3H3/b9-4+,10-6+
InChIKeyPBLVZQGHXFWQFT-IPHTWBMMSA-N
MW181.30 g/mol
LogP1.77
Rot. Bonds2

About (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole

(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole (PubChem CID 155044425) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole
PubChem CID155044425
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole
SMILESC/C=c1/ncs/c1=C/CC(C)C
InChIInChI=1S/C10H15NS/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4,6-8H,5H2,1-3H3/b9-4+,10-6+
InChIKeyPBLVZQGHXFWQFT-IPHTWBMMSA-N
XLogP1.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole?
The IUPAC name of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole (CID 155044425) is (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole?
The canonical SMILES for (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole is C/C=c1/ncs/c1=C/CC(C)C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole?
The InChIKey is PBLVZQGHXFWQFT-IPHTWBMMSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-9-10(12-7-11-9)6-5-8(2)3/h4,6-8H,5H2,1-3H3/b9-4+,10-6+.
What are the key properties of (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole?
(4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-(3-methylbutylidene)-1,3-thiazole is sourced from PubChem (CID 155044425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).