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

C12H20N4S — CID 97074415

IUPACN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N[C@@H]2CCN(C3CCCC3)C2)n1
InChIInChI=1S/C12H20N4S/c1-9-13-12(17-15-9)14-10-6-7-16(8-10)11-4-2-3-5-11/h10-11H,2-8H2,1H3,(H,13,14,15)/t10-/m1/s1
InChIKeyDCQSOCMDAXXJIH-SNVBAGLBSA-N
MW252.39 g/mol
LogP2.28
Rot. Bonds3

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

N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 97074415) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID97074415
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N[C@@H]2CCN(C3CCCC3)C2)n1
InChIInChI=1S/C12H20N4S/c1-9-13-12(17-15-9)14-10-6-7-16(8-10)11-4-2-3-5-11/h10-11H,2-8H2,1H3,(H,13,14,15)/t10-/m1/s1
InChIKeyDCQSOCMDAXXJIH-SNVBAGLBSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276901
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319574
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103360274
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276900
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-[(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
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569901
1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 97161055

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 97074415) is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N[C@@H]2CCN(C3CCCC3)C2)n1.
What is the InChIKey of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DCQSOCMDAXXJIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-13-12(17-15-9)14-10-6-7-16(8-10)11-4-2-3-5-11/h10-11H,2-8H2,1H3,(H,13,14,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97074415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).