2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C10H18N4OS — CID 95321408

IUPAC2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC[C@@H](C)N(C)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H18N4OS/c1-5-7(2)14(4)6-9(15)11-10-13-12-8(3)16-10/h7H,5-6H2,1-4H3,(H,11,13,15)/t7-/m1/s1
InChIKeyMVUDOKOCSYXFIE-SSDOTTSWSA-N
MW242.35 g/mol
LogP1.52
Rot. Bonds5

About 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 95321408) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID95321408
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC[C@@H](C)N(C)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C10H18N4OS/c1-5-7(2)14(4)6-9(15)11-10-13-12-8(3)16-10/h7H,5-6H2,1-4H3,(H,11,13,15)/t7-/m1/s1
InChIKeyMVUDOKOCSYXFIE-SSDOTTSWSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47359932
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
5-bromo-N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47276155
(2S)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873943
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3386523
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 115635315
2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 47066278
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 16574832

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 95321408) is 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CC[C@@H](C)N(C)CC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MVUDOKOCSYXFIE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-5-7(2)14(4)6-9(15)11-10-13-12-8(3)16-10/h7H,5-6H2,1-4H3,(H,11,13,15)/t7-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 242.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 95321408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).