N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C12H20N4S — CID 65276901

IUPACN-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C12H20N4S/c1-8(2)11-14-12(17-15-11)13-9-5-6-16(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyYZFQGUVNYDRGNX-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.31
Rot. Bonds4

About N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65276901) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65276901
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C12H20N4S/c1-8(2)11-14-12(17-15-11)13-9-5-6-16(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyYZFQGUVNYDRGNX-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161060
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161059
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
1-[3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133366605
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65471658
3-propan-2-yl-N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 65275883
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276900
N-(2-methyloxan-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103889222
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103360274

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65276901) is N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YZFQGUVNYDRGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8(2)11-14-12(17-15-11)13-9-5-6-16(7-9)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).