3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide

C17H21N7O2S — CID 126945680

IUPAC3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CC(n2cc(N3CCNC3=O)cn2)C1
InChIInChI=1S/C17H21N7O2S/c25-16-18-5-6-23(16)11-7-19-24(10-11)12-8-22(9-12)17(26)21-15-20-13-3-1-2-4-14(13)27-15/h7,10,12H,1-6,8-9H2,(H,18,25)(H,20,21,26)
InChIKeyIEXNXGXCACQEPH-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.84
Rot. Bonds3

About 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide

3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide (PubChem CID 126945680) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
PubChem CID126945680
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CC(n2cc(N3CCNC3=O)cn2)C1
InChIInChI=1S/C17H21N7O2S/c25-16-18-5-6-23(16)11-7-19-24(10-11)12-8-22(9-12)17(26)21-15-20-13-3-1-2-4-14(13)27-15/h7,10,12H,1-6,8-9H2,(H,18,25)(H,20,21,26)
InChIKeyIEXNXGXCACQEPH-UHFFFAOYSA-N
XLogP1.84
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide with MolForge

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Related Compounds

3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126900146
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
1-[1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945517
3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126948219
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945646
2-[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126945890
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide (CID 126945680) is 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide is O=C(Nc1nc2c(s1)CCCC2)N1CC(n2cc(N3CCNC3=O)cn2)C1.
What is the InChIKey of 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is IEXNXGXCACQEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c25-16-18-5-6-23(16)11-7-19-24(10-11)12-8-22(9-12)17(26)21-15-20-13-3-1-2-4-14(13)27-15/h7,10,12H,1-6,8-9H2,(H,18,25)(H,20,21,26).
What are the key properties of 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide?
3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126945680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).