N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine

C12H18FN3OS — CID 126856194

IUPACN-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C2CCCC2)[C@@H]2COC[C@H]2F)n1
InChIInChI=1S/C12H18FN3OS/c1-8-14-12(18-15-8)16(9-4-2-3-5-9)11-7-17-6-10(11)13/h9-11H,2-7H2,1H3/t10-,11-/m1/s1
InChIKeyDNHIZVCSQOEDRU-GHMZBOCLSA-N
MW271.36 g/mol
LogP2.33
Rot. Bonds3

About N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine

N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 126856194) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID126856194
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC NameN-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C2CCCC2)[C@@H]2COC[C@H]2F)n1
InChIInChI=1S/C12H18FN3OS/c1-8-14-12(18-15-8)16(9-4-2-3-5-9)11-7-17-6-10(11)13/h9-11H,2-7H2,1H3/t10-,11-/m1/s1
InChIKeyDNHIZVCSQOEDRU-GHMZBOCLSA-N
XLogP2.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 126856194) is N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C2CCCC2)[C@@H]2COC[C@H]2F)n1.
What is the InChIKey of N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DNHIZVCSQOEDRU-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H18FN3OS/c1-8-14-12(18-15-8)16(9-4-2-3-5-9)11-7-17-6-10(11)13/h9-11H,2-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 271.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126856194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).