[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol

C9H13N3OS — CID 130758092

IUPAC[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H13N3OS/c13-4-6-3-7(6)10-9-11-8(12-14-9)5-1-2-5/h5-7,13H,1-4H2,(H,10,11,12)/t6-,7+/m0/s1
InChIKeyIFVNSGCHZVPEKG-NKWVEPMBSA-N
MW211.29 g/mol
LogP1.21
Rot. Bonds4

About [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol

[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol (PubChem CID 130758092) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol
PubChem CID130758092
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@H]1Nc1nc(C2CC2)ns1
InChIInChI=1S/C9H13N3OS/c13-4-6-3-7(6)10-9-11-8(12-14-9)5-1-2-5/h5-7,13H,1-4H2,(H,10,11,12)/t6-,7+/m0/s1
InChIKeyIFVNSGCHZVPEKG-NKWVEPMBSA-N
XLogP1.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol with MolForge

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Related Compounds

2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
CID 133496128
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 154869840
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 79245937
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
[(1R,2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
CID 99846980
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-methylbutan-1-ol
CID 115886077
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
3-cyclopropyl-N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65274507
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol (CID 130758092) is [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol is OC[C@@H]1C[C@H]1Nc1nc(C2CC2)ns1.
What is the InChIKey of [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol?
The InChIKey is IFVNSGCHZVPEKG-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-4-6-3-7(6)10-9-11-8(12-14-9)5-1-2-5/h5-7,13H,1-4H2,(H,10,11,12)/t6-,7+/m0/s1.
What are the key properties of [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol?
[(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol has a molecular weight of 211.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 130758092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).