(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C15H24N6OS — CID 124846533

IUPAC(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@H](C)N(C)CCn2nc(C)cc2C)s1
InChIInChI=1S/C15H24N6OS/c1-6-13-17-18-15(23-13)16-14(22)12(4)20(5)7-8-21-11(3)9-10(2)19-21/h9,12H,6-8H2,1-5H3,(H,16,18,22)/t12-/m0/s1
InChIKeyIXPKEXAOWUIROO-LBPRGKRZSA-N
MW336.47 g/mol
LogP1.87
Rot. Bonds7

About (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 124846533) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID124846533
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@H](C)N(C)CCn2nc(C)cc2C)s1
InChIInChI=1S/C15H24N6OS/c1-6-13-17-18-15(23-13)16-14(22)12(4)20(5)7-8-21-11(3)9-10(2)19-21/h9,12H,6-8H2,1-5H3,(H,16,18,22)/t12-/m0/s1
InChIKeyIXPKEXAOWUIROO-LBPRGKRZSA-N
XLogP1.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534
2-(3,5-dimethylpyrazol-1-yl)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 110244385
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-2-carboxamide
CID 16673121
5-acetyl-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 156584427
N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 46979051
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 124758731
2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 19256783
(2S)-N-[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-methyloxolane-2-carboxamide
CID 51498804
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 8927340
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54787321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 124846533) is (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)[C@H](C)N(C)CCn2nc(C)cc2C)s1.
What is the InChIKey of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IXPKEXAOWUIROO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-6-13-17-18-15(23-13)16-14(22)12(4)20(5)7-8-21-11(3)9-10(2)19-21/h9,12H,6-8H2,1-5H3,(H,16,18,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 336.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 124846533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).