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

C6H9N5O2S2 — CID 110186338

IUPACN-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)NC(N)=O)s1
InChIInChI=1S/C6H9N5O2S2/c1-8-5-10-11-6(15-5)14-2-3(12)9-4(7)13/h2H2,1H3,(H,8,10)(H3,7,9,12,13)
InChIKeyAQUAONNSAJJPAD-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.13
Rot. Bonds4

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

N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 110186338) has the molecular formula C6H9N5O2S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID110186338
Molecular FormulaC6H9N5O2S2
Molecular Weight247.30 g/mol
Exact Mass247.02
IUPAC NameN-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)NC(N)=O)s1
InChIInChI=1S/C6H9N5O2S2/c1-8-5-10-11-6(15-5)14-2-3(12)9-4(7)13/h2H2,1H3,(H,8,10)(H3,7,9,12,13)
InChIKeyAQUAONNSAJJPAD-UHFFFAOYSA-N
XLogP-0.13
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11924446
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 18202822
N-carbamoyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 5223377
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
CID 9378318
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
2-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9375739
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18199596
N-propan-2-yl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516187
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516262

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 110186338) is N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CNc1nnc(SCC(=O)NC(N)=O)s1.
What is the InChIKey of N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AQUAONNSAJJPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2S2/c1-8-5-10-11-6(15-5)14-2-3(12)9-4(7)13/h2H2,1H3,(H,8,10)(H3,7,9,12,13).
What are the key properties of N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 110186338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).