N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine

C12H17N5OS2 — CID 35192412

IUPACN-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1noc([C@@H](C)Sc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C12H17N5OS2/c1-6(2)9-14-10(18-17-9)7(3)19-12-16-15-11(20-12)13-8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyUGTWSVCMKKKXHY-SSDOTTSWSA-N
MW311.44 g/mol
LogP3.47
Rot. Bonds6

About N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 35192412) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID35192412
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC NameN-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1noc([C@@H](C)Sc2nnc(NC3CC3)s2)n1
InChIInChI=1S/C12H17N5OS2/c1-6(2)9-14-10(18-17-9)7(3)19-12-16-15-11(20-12)13-8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyUGTWSVCMKKKXHY-SSDOTTSWSA-N
XLogP3.47
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 35192412) is N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine is CC(C)c1noc([C@@H](C)Sc2nnc(NC3CC3)s2)n1.
What is the InChIKey of N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UGTWSVCMKKKXHY-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-6(2)9-14-10(18-17-9)7(3)19-12-16-15-11(20-12)13-8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)/t7-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 311.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35192412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).