2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide

C15H21N5OS2 — CID 46990636

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(CNC(=O)CSc1nnc(N)s1)N(C)C
InChIInChI=1S/C15H21N5OS2/c1-10-6-4-5-7-11(10)12(20(2)3)8-17-13(21)9-22-15-19-18-14(16)23-15/h4-7,12H,8-9H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyLAQSOJQYMVUEII-UHFFFAOYSA-N
MW351.50 g/mol
LogP1.94
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide (PubChem CID 46990636) has the molecular formula C15H21N5OS2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide
PubChem CID46990636
Molecular FormulaC15H21N5OS2
Molecular Weight351.50 g/mol
Exact Mass351.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(CNC(=O)CSc1nnc(N)s1)N(C)C
InChIInChI=1S/C15H21N5OS2/c1-10-6-4-5-7-11(10)12(20(2)3)8-17-13(21)9-22-15-19-18-14(16)23-15/h4-7,12H,8-9H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyLAQSOJQYMVUEII-UHFFFAOYSA-N
XLogP1.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30687916
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2488997
methyl (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-phenylacetate
CID 7321600
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-2-pyrazol-1-ylacetamide
CID 125446228
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(2-methylphenyl)acetate
CID 75458742
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30580573
N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]-4,4,4-trifluorobutanamide
CID 122559642
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-4,4,4-trifluorobutanamide
CID 125437973
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 134038099
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77089289
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide (CID 46990636) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(CNC(=O)CSc1nnc(N)s1)N(C)C.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is LAQSOJQYMVUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS2/c1-10-6-4-5-7-11(10)12(20(2)3)8-17-13(21)9-22-15-19-18-14(16)23-15/h4-7,12H,8-9H2,1-3H3,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(dimethylamino)-2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 46990636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).