N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

C19H24N4O2S2 — CID 7435195

IUPACN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1sccc1C
InChIInChI=1S/C19H24N4O2S2/c1-3-10-23(19(25)15-12-27-22-21-15)16(17-13(2)9-11-26-17)18(24)20-14-7-5-4-6-8-14/h3,9,11-12,14,16H,1,4-8,10H2,2H3,(H,20,24)/t16-/m1/s1
InChIKeyOJNYCMUQTXPWLT-MRXNPFEDSA-N
MW404.56 g/mol
LogP3.73
Rot. Bonds7

About N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide

N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (PubChem CID 7435195) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
PubChem CID7435195
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC NameN-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
SMILESC=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1sccc1C
InChIInChI=1S/C19H24N4O2S2/c1-3-10-23(19(25)15-12-27-22-21-15)16(17-13(2)9-11-26-17)18(24)20-14-7-5-4-6-8-14/h3,9,11-12,14,16H,1,4-8,10H2,2H3,(H,20,24)/t16-/m1/s1
InChIKeyOJNYCMUQTXPWLT-MRXNPFEDSA-N
XLogP3.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3697623
N-[(1R)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 1467760
N-[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 1467762
N-[(1R)-2-(cyclopentylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 1452011
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219349
N-[(2R)-butan-2-yl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7435130
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404530
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1167485
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide (CID 7435195) is N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1sccc1C.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
The InChIKey is OJNYCMUQTXPWLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-3-10-23(19(25)15-12-27-22-21-15)16(17-13(2)9-11-26-17)18(24)20-14-7-5-4-6-8-14/h3,9,11-12,14,16H,1,4-8,10H2,2H3,(H,20,24)/t16-/m1/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide?
N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-prop-2-enylthiadiazole-4-carboxamide is sourced from PubChem (CID 7435195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).