3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine

C15H23N5OS — CID 128998693

IUPAC3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H23N5OS/c1-15(2,3)13-18-14(22-19-13)16-9-10-6-8-21-12(10)11-5-7-17-20(11)4/h5,7,10,12H,6,8-9H2,1-4H3,(H,16,18,19)/t10-,12+/m0/s1
InChIKeyLXHYBWIPZATOOM-CMPLNLGQSA-N
MW321.45 g/mol
LogP2.76
Rot. Bonds4

About 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 128998693) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID128998693
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H23N5OS/c1-15(2,3)13-18-14(22-19-13)16-9-10-6-8-21-12(10)11-5-7-17-20(11)4/h5,7,10,12H,6,8-9H2,1-4H3,(H,16,18,19)/t10-,12+/m0/s1
InChIKeyLXHYBWIPZATOOM-CMPLNLGQSA-N
XLogP2.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 100694651
N-[(2-aminocyclohexyl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65278010
6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinoxalin-2-amine
CID 129000376
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
1-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 166278799
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 128998693) is 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine is Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LXHYBWIPZATOOM-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-15(2,3)13-18-14(22-19-13)16-9-10-6-8-21-12(10)11-5-7-17-20(11)4/h5,7,10,12H,6,8-9H2,1-4H3,(H,16,18,19)/t10-,12+/m0/s1.
What are the key properties of 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 321.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 128998693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).