5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide

C15H16F2N4O2S — CID 126769073

IUPAC5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCc1nccn1C(F)F
InChIInChI=1S/C15H16F2N4O2S/c1-8-6-11(20-13(22)9-2-3-9)24-12(8)14(23)19-7-10-18-4-5-21(10)15(16)17/h4-6,9,15H,2-3,7H2,1H3,(H,19,23)(H,20,22)
InChIKeyYUVIHPXGFNRQEU-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.93
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 126769073) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID126769073
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)NCc1nccn1C(F)F
InChIInChI=1S/C15H16F2N4O2S/c1-8-6-11(20-13(22)9-2-3-9)24-12(8)14(23)19-7-10-18-4-5-21(10)15(16)17/h4-6,9,15H,2-3,7H2,1H3,(H,19,23)(H,20,22)
InChIKeyYUVIHPXGFNRQEU-UHFFFAOYSA-N
XLogP2.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(cyclopropanecarbonylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-methylthiophene-2-carboxamide
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5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
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CID 78835001
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-[3-(4-fluorophenoxy)propyl]-3-methylthiophene-2-carboxamide
CID 86866426
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CID 110886322
5-(cyclopropanecarbonylamino)-N-[3-(4-methoxyphenoxy)propyl]-3-methylthiophene-2-carboxamide
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5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
N-[2-(benzylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide (CID 126769073) is 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1nccn1C(F)F.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is YUVIHPXGFNRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c1-8-6-11(20-13(22)9-2-3-9)24-12(8)14(23)19-7-10-18-4-5-21(10)15(16)17/h4-6,9,15H,2-3,7H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 126769073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).