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

C16H19N3OS2 — CID 118433197

IUPAC4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCC3)cs2)s1
InChIInChI=1S/C16H19N3OS2/c1-9-17-7-15(22-9)19-16(20)14-5-10(8-21-14)12-6-13(12)18-11-3-2-4-11/h5,7-8,11-13,18H,2-4,6H2,1H3,(H,19,20)
InChIKeyBSFPMHZUNJUVJQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.76
Rot. Bonds5

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

4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide (PubChem CID 118433197) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
PubChem CID118433197
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCC3)cs2)s1
InChIInChI=1S/C16H19N3OS2/c1-9-17-7-15(22-9)19-16(20)14-5-10(8-21-14)12-6-13(12)18-11-3-2-4-11/h5,7-8,11-13,18H,2-4,6H2,1H3,(H,19,20)
InChIKeyBSFPMHZUNJUVJQ-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide (CID 118433197) is 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide is Cc1ncc(NC(=O)c2cc(C3CC3NC3CCC3)cs2)s1.
What is the InChIKey of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is BSFPMHZUNJUVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-9-17-7-15(22-9)19-16(20)14-5-10(8-21-14)12-6-13(12)18-11-3-2-4-11/h5,7-8,11-13,18H,2-4,6H2,1H3,(H,19,20).
What are the key properties of 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118433197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).