N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C14H21N5OS — CID 129340915

IUPACN-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@H]2CCO[C@@H](c3cncn3C)C2)n1
InChIInChI=1S/C14H21N5OS/c1-9(2)13-17-14(21-18-13)16-10-4-5-20-12(6-10)11-7-15-8-19(11)3/h7-10,12H,4-6H2,1-3H3,(H,16,17,18)/t10-,12+/m0/s1
InChIKeyYAJMNTVEGNVTIS-CMPLNLGQSA-N
MW307.42 g/mol
LogP2.73
Rot. Bonds4

About N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 129340915) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID129340915
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@H]2CCO[C@@H](c3cncn3C)C2)n1
InChIInChI=1S/C14H21N5OS/c1-9(2)13-17-14(21-18-13)16-10-4-5-20-12(6-10)11-7-15-8-19(11)3/h7-10,12H,4-6H2,1-3H3,(H,16,17,18)/t10-,12+/m0/s1
InChIKeyYAJMNTVEGNVTIS-CMPLNLGQSA-N
XLogP2.73
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 129340915) is N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N[C@H]2CCO[C@@H](c3cncn3C)C2)n1.
What is the InChIKey of N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YAJMNTVEGNVTIS-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9(2)13-17-14(21-18-13)16-10-4-5-20-12(6-10)11-7-15-8-19(11)3/h7-10,12H,4-6H2,1-3H3,(H,16,17,18)/t10-,12+/m0/s1.
What are the key properties of N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 307.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129340915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).