3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine

C15H21N5OS — CID 128974300

IUPAC3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1nc(C2CC2)ns1
InChIInChI=1S/C15H21N5OS/c1-8-12(9(2)20(3)18-8)13-11(6-7-21-13)16-15-17-14(19-22-15)10-4-5-10/h10-11,13H,4-7H2,1-3H3,(H,16,17,19)/t11-,13-/m0/s1
InChIKeyGCNSJIKMOYPPKF-AAEUAGOBSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds4

About 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 128974300) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine
PubChem CID128974300
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1nc(C2CC2)ns1
InChIInChI=1S/C15H21N5OS/c1-8-12(9(2)20(3)18-8)13-11(6-7-21-13)16-15-17-14(19-22-15)10-4-5-10/h10-11,13H,4-7H2,1-3H3,(H,16,17,19)/t11-,13-/m0/s1
InChIKeyGCNSJIKMOYPPKF-AAEUAGOBSA-N
XLogP2.71
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 96511957
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 129006792
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 154753476
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
2-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 128973060
3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
CID 133363274
6-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyridine-3-carboxamide
CID 128974398
1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
CID 167896430
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973107
1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
CID 136586038
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine (CID 128974300) is 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GCNSJIKMOYPPKF-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-8-12(9(2)20(3)18-8)13-11(6-7-21-13)16-15-17-14(19-22-15)10-4-5-10/h10-11,13H,4-7H2,1-3H3,(H,16,17,19)/t11-,13-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 319.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 128974300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).