N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

C17H15N5O2S2 — CID 42138334

IUPACN-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESCc1csc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)n1
InChIInChI=1S/C17H15N5O2S2/c1-11-9-26-17(18-11)20-14(23)10-25-15-8-7-13(21-22-15)19-16(24)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20,23)(H,19,21,24)
InChIKeyVDSQXQPPQVBFCN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.22
Rot. Bonds6

About N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (PubChem CID 42138334) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
PubChem CID42138334
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC NameN-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESCc1csc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)n1
InChIInChI=1S/C17H15N5O2S2/c1-11-9-26-17(18-11)20-14(23)10-25-15-8-7-13(21-22-15)19-16(24)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20,23)(H,19,21,24)
InChIKeyVDSQXQPPQVBFCN-UHFFFAOYSA-N
XLogP3.22
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138315
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56724875
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
N-[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 7191195
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
CID 42138966
2-[[4-amino-5-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17076131
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3228873
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17288801
N-[5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 18561332
3-chloro-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913239

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (CID 42138334) is N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is Cc1csc(NC(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)n1.
What is the InChIKey of N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The InChIKey is VDSQXQPPQVBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-11-9-26-17(18-11)20-14(23)10-25-15-8-7-13(21-22-15)19-16(24)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20,23)(H,19,21,24).
What are the key properties of N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is sourced from PubChem (CID 42138334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).