(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

C8H10N2OS2 — CID 131235703

IUPAC(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCS/C=C/C(=O)/N=c1\sccn1C
InChIInChI=1S/C8H10N2OS2/c1-10-4-6-13-8(10)9-7(11)3-5-12-2/h3-6H,1-2H3/b5-3+,9-8-
InChIKeyIUUAXWQVNLVRQK-QRSZSCANSA-N
MW214.32 g/mol
LogP1.39
Rot. Bonds2

About (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (PubChem CID 131235703) has the molecular formula C8H10N2OS2 and a molecular weight of 214.32 g/mol. Its IUPAC name is (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
PubChem CID131235703
Molecular FormulaC8H10N2OS2
Molecular Weight214.32 g/mol
Exact Mass214.02
IUPAC Name(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCS/C=C/C(=O)/N=c1\sccn1C
InChIInChI=1S/C8H10N2OS2/c1-10-4-6-13-8(10)9-7(11)3-5-12-2/h3-6H,1-2H3/b5-3+,9-8-
InChIKeyIUUAXWQVNLVRQK-QRSZSCANSA-N
XLogP1.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mls002694862
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7H-Thiazolo(3,2-a)pyrimidin-7-one, 5-(diethylamino)-
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1H-4-Pyrimidinone, 1-methyl-2-methylthio-
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7H-Thiazolo(3,2-a)pyrimidin-7-one
CID 21852852
2-(Ethylthio)-3-methyl-4-pyrimidone
CID 129660839
3-Ethyl-2-(ethylsulfanyl)pyrimidin-4(3H)-one
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7-(Methylthio)-5H-thiazolo[3,2-a]pyrimidin-5-one
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1-Methyl-2-(ethylthio)-4-pyrimidone
CID 85930388
8-Ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CID 13463958
N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 57834474
N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide
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N-(4,5-dihydro-1,3-thiazol-2-yl)-N-methylprop-2-enamide;methane
CID 159944323

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The IUPAC name of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (CID 131235703) is (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.
What is the SMILES notation for (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The canonical SMILES for (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is CS/C=C/C(=O)/N=c1\sccn1C.
What is the InChIKey of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The InChIKey is IUUAXWQVNLVRQK-QRSZSCANSA-N. The full InChI is InChI=1S/C8H10N2OS2/c1-10-4-6-13-8(10)9-7(11)3-5-12-2/h3-6H,1-2H3/b5-3+,9-8-.
What are the key properties of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide has a molecular weight of 214.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is sourced from PubChem (CID 131235703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).