(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C15H16N2OS2 — CID 95777296

IUPAC(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1csc([C@H](NC(=O)/C=C/c2cccs2)C2CC2)n1
InChIInChI=1S/C15H16N2OS2/c1-10-9-20-15(16-10)14(11-4-5-11)17-13(18)7-6-12-3-2-8-19-12/h2-3,6-9,11,14H,4-5H2,1H3,(H,17,18)/b7-6+/t14-/m1/s1
InChIKeyJNBFTTIEPUBSMV-PSKZRQQASA-N
MW304.44 g/mol
LogP3.79
Rot. Bonds5

About (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 95777296) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID95777296
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1csc([C@H](NC(=O)/C=C/c2cccs2)C2CC2)n1
InChIInChI=1S/C15H16N2OS2/c1-10-9-20-15(16-10)14(11-4-5-11)17-13(18)7-6-12-3-2-8-19-12/h2-3,6-9,11,14H,4-5H2,1H3,(H,17,18)/b7-6+/t14-/m1/s1
InChIKeyJNBFTTIEPUBSMV-PSKZRQQASA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-chlorophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-4,4,4-trifluorobut-2-enamide
CID 75362849
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
N-[2-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 167956670
(E)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
1-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 119039740
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 99817793
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
CID 97008408
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 171136538
3-(2-aminophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613359
1-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 95934122
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119138180

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 95777296) is (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide is Cc1csc([C@H](NC(=O)/C=C/c2cccs2)C2CC2)n1.
What is the InChIKey of (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JNBFTTIEPUBSMV-PSKZRQQASA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-10-9-20-15(16-10)14(11-4-5-11)17-13(18)7-6-12-3-2-8-19-12/h2-3,6-9,11,14H,4-5H2,1H3,(H,17,18)/b7-6+/t14-/m1/s1.
What are the key properties of (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 304.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 95777296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).