2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide

C16H19N5O2S2 — CID 46575698

IUPAC2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(SCC(=O)NCC3CC3)s2)c1
InChIInChI=1S/C16H19N5O2S2/c1-10(22)18-12-3-2-4-13(7-12)19-15-20-21-16(25-15)24-9-14(23)17-8-11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,17,23)(H,18,22)(H,19,20)
InChIKeyRAOWMPUAYNWWOO-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.86
Rot. Bonds8

About 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide

2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide (PubChem CID 46575698) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
PubChem CID46575698
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(SCC(=O)NCC3CC3)s2)c1
InChIInChI=1S/C16H19N5O2S2/c1-10(22)18-12-3-2-4-13(7-12)19-15-20-21-16(25-15)24-9-14(23)17-8-11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,17,23)(H,18,22)(H,19,20)
InChIKeyRAOWMPUAYNWWOO-UHFFFAOYSA-N
XLogP2.86
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 2107152
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 55570119
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylmethyl)acetamide
CID 71933169
N-[5-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-butylcyclohexane-1-carboxamide
CID 40833321
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 55570405
N-cyclopropyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7378189
N-(cyclopropylmethyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 35164965
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
N-(cyclohexylmethyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2604383
N-(cyclopropylmethyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46525895
N-[3-[[5-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 51934837
N-[3-[[5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46596252

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide (CID 46575698) is 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide is CC(=O)Nc1cccc(Nc2nnc(SCC(=O)NCC3CC3)s2)c1.
What is the InChIKey of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is RAOWMPUAYNWWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-10(22)18-12-3-2-4-13(7-12)19-15-20-21-16(25-15)24-9-14(23)17-8-11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H,17,23)(H,18,22)(H,19,20).
What are the key properties of 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide?
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 377.50 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 46575698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).