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

C14H17ClN4S — CID 125436555

IUPACN-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC[C@H]2CCN(c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C14H17ClN4S/c1-10-17-18-14(20-10)16-8-11-5-6-19(9-11)13-4-2-3-12(15)7-13/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyJYKBFASWAKNXQH-LLVKDONJSA-N
MW308.84 g/mol
LogP3.44
Rot. Bonds4

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

N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 125436555) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID125436555
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC NameN-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC[C@H]2CCN(c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C14H17ClN4S/c1-10-17-18-14(20-10)16-8-11-5-6-19(9-11)13-4-2-3-12(15)7-13/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyJYKBFASWAKNXQH-LLVKDONJSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
CID 55909706
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
5-[(4-fluorophenyl)methyl]-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 133457400
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 109463340
N-[[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 125158880
5-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 11004386
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382297
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383624
2-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133275214
(1R)-1-(3-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 25265632
4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 72862236

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 125436555) is N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC[C@H]2CCN(c3cccc(Cl)c3)C2)s1.
What is the InChIKey of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JYKBFASWAKNXQH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-10-17-18-14(20-10)16-8-11-5-6-19(9-11)13-4-2-3-12(15)7-13/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 308.84 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125436555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).