N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C14H13N5OS3 — CID 4289063

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)s1
InChIInChI=1S/C14H13N5OS3/c1-8-17-18-14(22-8)21-7-12(20)16-9-2-3-11-10(6-9)19-5-4-15-13(19)23-11/h2-3,6H,4-5,7H2,1H3,(H,16,20)
InChIKeyLDMUZFHORPNOLS-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.86
Rot. Bonds4

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4289063) has the molecular formula C14H13N5OS3 and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID4289063
Molecular FormulaC14H13N5OS3
Molecular Weight363.49 g/mol
Exact Mass363.03
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)s1
InChIInChI=1S/C14H13N5OS3/c1-8-17-18-14(22-8)21-7-12(20)16-9-2-3-11-10(6-9)19-5-4-15-13(19)23-11/h2-3,6H,4-5,7H2,1H3,(H,16,20)
InChIKeyLDMUZFHORPNOLS-UHFFFAOYSA-N
XLogP2.86
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 12873985
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 2535221
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4076099
2-(2-aminophenyl)sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 4158103
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 4870950
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-3-thiophen-3-ylprop-2-enamide
CID 4895278
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 4899932
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
CID 4901878
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-3-thiophen-2-ylbut-2-enamide
CID 4912691
N-(2,3-Dihydroimidazo[2,1-b]benzothiazol-6-yl)-2-[(4,5-dihydro-2-thiazolyl)thio]acetamide
CID 17385958
N-(2,3-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 17385960
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2,3-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)acetamide
CID 17385964

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 4289063) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)s1.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LDMUZFHORPNOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS3/c1-8-17-18-14(22-8)21-7-12(20)16-9-2-3-11-10(6-9)19-5-4-15-13(19)23-11/h2-3,6H,4-5,7H2,1H3,(H,16,20).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 363.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4289063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).