5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide

C17H16N4O2S — CID 166219839

IUPAC5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2CC2)s1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H16N4O2S/c22-16(20-12-4-3-11-8-19-21-13(11)7-12)9-18-17(23)15-6-5-14(24-15)10-1-2-10/h3-8,10H,1-2,9H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyZWXURUQDYPXEII-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.87
Rot. Bonds5

About 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide

5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 166219839) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID166219839
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(C2CC2)s1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H16N4O2S/c22-16(20-12-4-3-11-8-19-21-13(11)7-12)9-18-17(23)15-6-5-14(24-15)10-1-2-10/h3-8,10H,1-2,9H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyZWXURUQDYPXEII-UHFFFAOYSA-N
XLogP2.87
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
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N-(1H-indazol-6-yl)-2-(1,3-thiazol-2-ylamino)acetamide
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N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
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5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
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N-(1H-indazol-6-yl)-2-piperidin-1-ylacetamide
CID 4205198
2-(2,5-dioxoimidazolidin-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 110698557
3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
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2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide (CID 166219839) is 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(C2CC2)s1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZWXURUQDYPXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(20-12-4-3-11-8-19-21-13(11)7-12)9-18-17(23)15-6-5-14(24-15)10-1-2-10/h3-8,10H,1-2,9H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide?
5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 166219839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).