4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

C16H20N4OS — CID 118432712

IUPAC4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCn1cc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)cn1
InChIInChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyRIILCHKMPVLDAX-UONOGXRCSA-N
MW316.43 g/mol
LogP2.73
Rot. Bonds5

About 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 118432712) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID118432712
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCn1cc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)cn1
InChIInChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)/t13-,14+/m0/s1
InChIKeyRIILCHKMPVLDAX-UONOGXRCSA-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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Related Compounds

4-[2-(cyclobutylamino)cyclopropyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 118433148
4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 118433197
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-2-carboxamide
CID 125489038
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728
4-[2-(cyclobutylamino)cyclopropyl]-N-(1-ethylpyrazol-4-yl)-5-methylthiophene-2-carboxamide
CID 118433220
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432853
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
N-[3-[2-(cyclobutylamino)cyclopropyl]-1-methylpyrazol-4-yl]thiophene-2-carboxamide;dihydrochloride
CID 140877518
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305020
4-[(1S,2R)-2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-2-carboxamide
CID 140877532
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118305093

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 118432712) is 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is Cn1cc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)cn1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is RIILCHKMPVLDAX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20-8-12(7-17-20)19-16(21)15-5-10(9-22-15)13-6-14(13)18-11-3-2-4-11/h5,7-9,11,13-14,18H,2-4,6H2,1H3,(H,19,21)/t13-,14+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-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 4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).