4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

C18H24N4OS — CID 118432998

IUPAC4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CCC1
InChIInChI=1S/C18H24N4OS/c1-11-14(15-6-16(15)19-8-12-4-3-5-12)7-17(24-11)18(23)21-13-9-20-22(2)10-13/h7,9-10,12,15-16,19H,3-6,8H2,1-2H3,(H,21,23)/t15-,16+/m0/s1
InChIKeyCOYFSGVVDODYNC-JKSUJKDBSA-N
MW344.48 g/mol
LogP3.29
Rot. Bonds6

About 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 118432998) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID118432998
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CCC1
InChIInChI=1S/C18H24N4OS/c1-11-14(15-6-16(15)19-8-12-4-3-5-12)7-17(24-11)18(23)21-13-9-20-22(2)10-13/h7,9-10,12,15-16,19H,3-6,8H2,1-2H3,(H,21,23)/t15-,16+/m0/s1
InChIKeyCOYFSGVVDODYNC-JKSUJKDBSA-N
XLogP3.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 118432998) is 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CCC1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is COYFSGVVDODYNC-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-11-14(15-6-16(15)19-8-12-4-3-5-12)7-17(24-11)18(23)21-13-9-20-22(2)10-13/h7,9-10,12,15-16,19H,3-6,8H2,1-2H3,(H,21,23)/t15-,16+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclobutylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).