2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C18H18N4O3S4 — CID 90530710

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C18H18N4O3S4/c23-16(10-26-18-20-12-3-1-2-4-14(12)28-18)21-17-19-13-7-8-22(9-15(13)27-17)29(24,25)11-5-6-11/h1-4,11H,5-10H2,(H,19,21,23)
InChIKeyUFEBOUPPRLWNQU-UHFFFAOYSA-N
MW466.64 g/mol
LogP3.33
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 90530710) has the molecular formula C18H18N4O3S4 and a molecular weight of 466.64 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID90530710
Molecular FormulaC18H18N4O3S4
Molecular Weight466.64 g/mol
Exact Mass466.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C18H18N4O3S4/c23-16(10-26-18-20-12-3-1-2-4-14(12)28-18)21-17-19-13-7-8-22(9-15(13)27-17)29(24,25)11-5-6-11/h1-4,11H,5-10H2,(H,19,21,23)
InChIKeyUFEBOUPPRLWNQU-UHFFFAOYSA-N
XLogP3.33
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.64
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531033
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90530823
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532632
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide
CID 90530814
1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea
CID 90530843
N-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide
CID 50832495
N-[5-(1,3-benzothiazole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531213
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90530716
methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 90529232
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 9458877
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 90530710) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is UFEBOUPPRLWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S4/c23-16(10-26-18-20-12-3-1-2-4-14(12)28-18)21-17-19-13-7-8-22(9-15(13)27-17)29(24,25)11-5-6-11/h1-4,11H,5-10H2,(H,19,21,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 466.64 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 90530710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).