N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C14H15N3O2S2 — CID 18568278

IUPACN-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NCc1cccs1
InChIInChI=1S/C14H15N3O2S2/c18-12(15-7-11-2-1-5-20-11)6-10-8-21-14(16-10)17-13(19)9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,15,18)(H,16,17,19)
InChIKeyXFLGKMQTIMPMQV-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.41
Rot. Bonds6

About N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 18568278) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID18568278
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Cc1csc(NC(=O)C2CC2)n1)NCc1cccs1
InChIInChI=1S/C14H15N3O2S2/c18-12(15-7-11-2-1-5-20-11)6-10-8-21-14(16-10)17-13(19)9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,15,18)(H,16,17,19)
InChIKeyXFLGKMQTIMPMQV-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 18568278) is N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1cccs1.
What is the InChIKey of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is XFLGKMQTIMPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c18-12(15-7-11-2-1-5-20-11)6-10-8-21-14(16-10)17-13(19)9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,15,18)(H,16,17,19).
What are the key properties of N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 321.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 18568278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).