N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

C16H15N3OS — CID 8839544

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCC1
InChIInChI=1S/C16H15N3OS/c20-15(10-4-3-5-10)19-16-18-14(9-21-16)12-8-17-13-7-2-1-6-11(12)13/h1-2,6-10,17H,3-5H2,(H,18,19,20)
InChIKeyUJMCQFFENMBGAS-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.03
Rot. Bonds3

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 8839544) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID8839544
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCC1
InChIInChI=1S/C16H15N3OS/c20-15(10-4-3-5-10)19-16-18-14(9-21-16)12-8-17-13-7-2-1-6-11(12)13/h1-2,6-10,17H,3-5H2,(H,18,19,20)
InChIKeyUJMCQFFENMBGAS-UHFFFAOYSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820043
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71893614
cis-(1R,2S)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-nitrocyclopropane-1-carboxamide
CID 94134950
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46969064
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 60529056
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 8839544) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCC1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is UJMCQFFENMBGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-15(10-4-3-5-10)19-16-18-14(9-21-16)12-8-17-13-7-2-1-6-11(12)13/h1-2,6-10,17H,3-5H2,(H,18,19,20).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 297.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 8839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).