4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide

C12H18N6OS — CID 106259563

IUPAC4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2nnc(CC(C)C)s2)c1N
InChIInChI=1S/C12H18N6OS/c1-4-7-9(13)10(17-15-7)11(19)14-12-18-16-8(20-12)5-6(2)3/h6H,4-5,13H2,1-3H3,(H,15,17)(H,14,18,19)
InChIKeyPSNQSIDMHLGWBU-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.86
Rot. Bonds5

About 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 106259563) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID106259563
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2nnc(CC(C)C)s2)c1N
InChIInChI=1S/C12H18N6OS/c1-4-7-9(13)10(17-15-7)11(19)14-12-18-16-8(20-12)5-6(2)3/h6H,4-5,13H2,1-3H3,(H,15,17)(H,14,18,19)
InChIKeyPSNQSIDMHLGWBU-UHFFFAOYSA-N
XLogP1.86
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 107641326
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 102694323
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276435
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
4-amino-1,3-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 106259622
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
5-cyclopropyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-3-carboxamide
CID 106261497
4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62080976
3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 16548056

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide (CID 106259563) is 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2nnc(CC(C)C)s2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is PSNQSIDMHLGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-4-7-9(13)10(17-15-7)11(19)14-12-18-16-8(20-12)5-6(2)3/h6H,4-5,13H2,1-3H3,(H,15,17)(H,14,18,19).
What are the key properties of 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106259563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).