N-(1,3-thiazol-2-yl)hexa-2,4-dienamide

C9H10N2OS — CID 3095736

IUPACN-(1,3-thiazol-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1nccs1
InChIInChI=1S/C9H10N2OS/c1-2-3-4-5-8(12)11-9-10-6-7-13-9/h2-7H,1H3,(H,10,11,12)
InChIKeyTUABTPCXCQHKMT-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.21
Rot. Bonds3

About N-(1,3-thiazol-2-yl)hexa-2,4-dienamide

N-(1,3-thiazol-2-yl)hexa-2,4-dienamide (PubChem CID 3095736) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)hexa-2,4-dienamide
PubChem CID3095736
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-(1,3-thiazol-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1nccs1
InChIInChI=1S/C9H10N2OS/c1-2-3-4-5-8(12)11-9-10-6-7-13-9/h2-7H,1H3,(H,10,11,12)
InChIKeyTUABTPCXCQHKMT-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Acetamidothiazole
CID 17625
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-hydroxy-N-(1,3-thiazol-2-yl)nicotinamide
CID 820192
3-(Thiazol-2-ylcarbamoyl)-acrylic acid ethyl ester
CID 2106440
3-Methyl-4-oxo-4-(1,3-thiazol-2-ylamino)-2-butenoic acid
CID 1736078
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
CID 4275223
(2E,4E)-N-(1,3-thiazol-2-yl)hexa-2,4-dienamide
CID 5750932
(E)-4-oxo-4-(thiazol-2-ylamino)but-2-enoic acid
CID 709857
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
2-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 135561690
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 877209

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(1,3-thiazol-2-yl)hexa-2,4-dienamide (CID 3095736) is N-(1,3-thiazol-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)hexa-2,4-dienamide?
The InChIKey is TUABTPCXCQHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-3-4-5-8(12)11-9-10-6-7-13-9/h2-7H,1H3,(H,10,11,12).
What are the key properties of N-(1,3-thiazol-2-yl)hexa-2,4-dienamide?
N-(1,3-thiazol-2-yl)hexa-2,4-dienamide has a molecular weight of 194.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 3095736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).