N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide

C13H16N4OS2 — CID 95225860

IUPACN-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)[C@H](C)c2ccncc2)s1
InChIInChI=1S/C13H16N4OS2/c1-9(11-4-6-14-7-5-11)17(3)12(18)8-19-13-16-15-10(2)20-13/h4-7,9H,8H2,1-3H3/t9-/m1/s1
InChIKeyCAMBEACKDKMMNQ-SECBINFHSA-N
MW308.43 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide

N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide (PubChem CID 95225860) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
PubChem CID95225860
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)[C@H](C)c2ccncc2)s1
InChIInChI=1S/C13H16N4OS2/c1-9(11-4-6-14-7-5-11)17(3)12(18)8-19-13-16-15-10(2)20-13/h4-7,9H,8H2,1-3H3/t9-/m1/s1
InChIKeyCAMBEACKDKMMNQ-SECBINFHSA-N
XLogP2.55
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24569030
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 29171321
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
N-methyl-N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 39952566
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 43250337
N-(1-hydroxypropan-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4668021
2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950477
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 94347341

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide (CID 95225860) is N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide is Cc1nnc(SCC(=O)N(C)[C@H](C)c2ccncc2)s1.
What is the InChIKey of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is CAMBEACKDKMMNQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-9(11-4-6-14-7-5-11)17(3)12(18)8-19-13-16-15-10(2)20-13/h4-7,9H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 95225860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).