2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C13H16N4OS3 — CID 51190943

IUPAC2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C13H16N4OS3/c1-17(7-10-3-2-6-19-10)11(18)8-20-13-16-15-12(21-13)14-9-4-5-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyQUHABCUVPCRTRP-UHFFFAOYSA-N
MW340.50 g/mol
LogP2.92
Rot. Bonds7

About 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51190943) has the molecular formula C13H16N4OS3 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51190943
Molecular FormulaC13H16N4OS3
Molecular Weight340.50 g/mol
Exact Mass340.05
IUPAC Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1nnc(NC2CC2)s1
InChIInChI=1S/C13H16N4OS3/c1-17(7-10-3-2-6-19-10)11(18)8-20-13-16-15-12(21-13)14-9-4-5-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyQUHABCUVPCRTRP-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51190944
N-methyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 8911488
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8633060
N-benzyl-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 18194116
N-(furan-2-ylmethyl)-N-methyl-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664625
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 37135714
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 9027130
N-(2-cyanoethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 40632455
N-benzyl-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 40623501
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 8836108
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 2432010

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 51190943) is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CSc1nnc(NC2CC2)s1.
What is the InChIKey of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QUHABCUVPCRTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS3/c1-17(7-10-3-2-6-19-10)11(18)8-20-13-16-15-12(21-13)14-9-4-5-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 340.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51190943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).