5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C16H20N4OS — CID 118432794

IUPAC5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2csc(C3CC3NC3CCC3)c2)cn1
InChIInChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)10-5-15(22-9-10)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)
InChIKeyFSHDBVZIZCVLRY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.73
Rot. Bonds5

About 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 118432794) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID118432794
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCn1cc(NC(=O)c2csc(C3CC3NC3CCC3)c2)cn1
InChIInChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)10-5-15(22-9-10)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)
InChIKeyFSHDBVZIZCVLRY-UHFFFAOYSA-N
XLogP2.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 118432794) is 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is Cn1cc(NC(=O)c2csc(C3CC3NC3CCC3)c2)cn1.
What is the InChIKey of 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is FSHDBVZIZCVLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)10-5-15(22-9-10)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21).
What are the key properties of 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118432794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).