N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H16N6OS2 — CID 71802106

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccc4nsnc4c3)cs2)n1
InChIInChI=1S/C17H16N6OS2/c1-10-7-11(2)23(20-10)17-19-13(9-25-17)5-6-18-16(24)12-3-4-14-15(8-12)22-26-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,24)
InChIKeySWRCSLHBGSFSMT-UHFFFAOYSA-N
MW384.49 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71802106) has the molecular formula C17H16N6OS2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71802106
Molecular FormulaC17H16N6OS2
Molecular Weight384.49 g/mol
Exact Mass384.08
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccc4nsnc4c3)cs2)n1
InChIInChI=1S/C17H16N6OS2/c1-10-7-11(2)23(20-10)17-19-13(9-25-17)5-6-18-16(24)12-3-4-14-15(8-12)22-26-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,24)
InChIKeySWRCSLHBGSFSMT-UHFFFAOYSA-N
XLogP2.92
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US11572374, Example 1-39
CID 162690731
N,N-diethyl-1-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]pyrazole-3-carboxamide
CID 137634868
N-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-pyrazolyl]-1,3-benzothiazole-6-carboxamide
CID 27378375
N-(benzo[c][1,2,5]thiadiazol-4-yl)-5-methyl-1-(4-phenylthiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 49670183
N-(5-(benzo[c][1,2,5]thiadiazole-5-carbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)cyclopropanecarboxamide
CID 56765051
N-(5-(methylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 71788260
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(dimethylamino)benzamide
CID 71802104
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-4-(1H-pyrrol-1-yl)benzamide
CID 71802160
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)benzo[d]thiazole-6-carboxamide
CID 71802177
N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 72719992
N-((1-(benzo[d]thiazol-2-yl)piperidin-4-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 73167638
N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
CID 86264497

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 71802106) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc4nsnc4c3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is SWRCSLHBGSFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS2/c1-10-7-11(2)23(20-10)17-19-13(9-25-17)5-6-18-16(24)12-3-4-14-15(8-12)22-26-21-14/h3-4,7-9H,5-6H2,1-2H3,(H,18,24).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71802106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).