N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H15N5O3S2 — CID 119101290

IUPACN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCN1c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2N(C)S1(=O)=O
InChIInChI=1S/C16H15N5O3S2/c1-20-13-6-5-10(8-14(13)21(2)26(20,23)24)17-16(22)12-9-11(18-19-12)15-4-3-7-25-15/h3-9H,1-2H3,(H,17,22)(H,18,19)
InChIKeyXFGDFGBHSWSECN-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.52
Rot. Bonds3

About N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 119101290) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID119101290
Molecular FormulaC16H15N5O3S2
Molecular Weight389.46 g/mol
Exact Mass389.06
IUPAC NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCN1c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2N(C)S1(=O)=O
InChIInChI=1S/C16H15N5O3S2/c1-20-13-6-5-10(8-14(13)21(2)26(20,23)24)17-16(22)12-9-11(18-19-12)15-4-3-7-25-15/h3-9H,1-2H3,(H,17,22)(H,18,19)
InChIKeyXFGDFGBHSWSECN-UHFFFAOYSA-N
XLogP2.52
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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N-(1-phenylethylideneamino)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 119101290) is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CN1c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2N(C)S1(=O)=O.
What is the InChIKey of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XFGDFGBHSWSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c1-20-13-6-5-10(8-14(13)21(2)26(20,23)24)17-16(22)12-9-11(18-19-12)15-4-3-7-25-15/h3-9H,1-2H3,(H,17,22)(H,18,19).
What are the key properties of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119101290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).