1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C23H26N6O3S2 — CID 155310597

IUPAC1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3sc(C(=O)n4[nH]c(C5=CC=C(N)CC5)cc4=O)cc3s2)CC1
InChIInChI=1S/C23H26N6O3S2/c1-27(2)21(31)14-7-9-28(10-8-14)23-25-20-17(34-23)12-18(33-20)22(32)29-19(30)11-16(26-29)13-3-5-15(24)6-4-13/h3,5,11-12,14,26H,4,6-10,24H2,1-2H3
InChIKeyYSXNWWRGTLWDAZ-UHFFFAOYSA-N
MW498.63 g/mol
LogP2.86
Rot. Bonds4

About 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 155310597) has the molecular formula C23H26N6O3S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID155310597
Molecular FormulaC23H26N6O3S2
Molecular Weight498.63 g/mol
Exact Mass498.15
IUPAC Name1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2nc3sc(C(=O)n4[nH]c(C5=CC=C(N)CC5)cc4=O)cc3s2)CC1
InChIInChI=1S/C23H26N6O3S2/c1-27(2)21(31)14-7-9-28(10-8-14)23-25-20-17(34-23)12-18(33-20)22(32)29-19(30)11-16(26-29)13-3-5-15(24)6-4-13/h3,5,11-12,14,26H,4,6-10,24H2,1-2H3
InChIKeyYSXNWWRGTLWDAZ-UHFFFAOYSA-N
XLogP2.86
TPSA117.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 155310597) is 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2nc3sc(C(=O)n4[nH]c(C5=CC=C(N)CC5)cc4=O)cc3s2)CC1.
What is the InChIKey of 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is YSXNWWRGTLWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S2/c1-27(2)21(31)14-7-9-28(10-8-14)23-25-20-17(34-23)12-18(33-20)22(32)29-19(30)11-16(26-29)13-3-5-15(24)6-4-13/h3,5,11-12,14,26H,4,6-10,24H2,1-2H3.
What are the key properties of 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(4-aminocyclohexa-1,3-dien-1-yl)-3-oxo-1H-pyrazole-2-carbonyl]thieno[2,3-d][1,3]thiazol-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 155310597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).