(5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol

C9H13N3OS — CID 146411613

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol
SMILESNc1nnc(C(O)(C2CC2)C2CC2)s1
InChIInChI=1S/C9H13N3OS/c10-8-12-11-7(14-8)9(13,5-1-2-5)6-3-4-6/h5-6,13H,1-4H2,(H2,10,12)
InChIKeyYXLUWQUTUCYJQC-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.13
Rot. Bonds3

About (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol

(5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol (PubChem CID 146411613) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol
PubChem CID146411613
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol
SMILESNc1nnc(C(O)(C2CC2)C2CC2)s1
InChIInChI=1S/C9H13N3OS/c10-8-12-11-7(14-8)9(13,5-1-2-5)6-3-4-6/h5-6,13H,1-4H2,(H2,10,12)
InChIKeyYXLUWQUTUCYJQC-UHFFFAOYSA-N
XLogP1.13
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride
CID 75530993
(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol
CID 67429273
5-(2-cyclopropyl-2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 164656680
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
dicyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 170068193
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
5-(2-cycloheptylethyl)-1,3,4-thiadiazol-2-amine
CID 10331253
5-(2-cyclopropylethyl)-1,3,4-thiadiazol-2-amine
CID 131127703
5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
CID 144630869
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
CID 176892157
sodium (5-amino-1,3,4-thiadiazol-2-yl)-difluoromethanesulfonate
CID 23677820

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol (CID 146411613) is (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol is Nc1nnc(C(O)(C2CC2)C2CC2)s1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol?
The InChIKey is YXLUWQUTUCYJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-8-12-11-7(14-8)9(13,5-1-2-5)6-3-4-6/h5-6,13H,1-4H2,(H2,10,12).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol?
(5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol has a molecular weight of 211.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-dicyclopropylmethanol is sourced from PubChem (CID 146411613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).