1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H17N5O2S — CID 136535434

IUPAC1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N5O2S/c23-15(9-11-3-4-12-10-19-21-13(12)8-11)22-6-1-2-14(22)16(24)20-17-18-5-7-25-17/h3-5,7-8,10,14H,1-2,6,9H2,(H,19,21)(H,18,20,24)
InChIKeyXFCSZGWJTAVEMO-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 136535434) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID136535434
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N5O2S/c23-15(9-11-3-4-12-10-19-21-13(12)8-11)22-6-1-2-14(22)16(24)20-17-18-5-7-25-17/h3-5,7-8,10,14H,1-2,6,9H2,(H,19,21)(H,18,20,24)
InChIKeyXFCSZGWJTAVEMO-UHFFFAOYSA-N
XLogP2.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576502
1-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55597176
1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 154802314
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120635830
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120564792
1-[2-[4-(4-methylphenoxy)phenoxy]acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670197
1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524677
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 136535434) is 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1C(=O)Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is XFCSZGWJTAVEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-15(9-11-3-4-12-10-19-21-13(12)8-11)22-6-1-2-14(22)16(24)20-17-18-5-7-25-17/h3-5,7-8,10,14H,1-2,6,9H2,(H,19,21)(H,18,20,24).
What are the key properties of 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136535434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).