2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine

C10H12ClN7S — CID 177337552

IUPAC2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(N[C@@H]2CCN(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C10H12ClN7S/c11-7-1-2-8(15-14-7)18-4-3-6(5-18)13-10-17-16-9(12)19-10/h1-2,6H,3-5H2,(H2,12,16)(H,13,17)/t6-/m1/s1
InChIKeySGUPKNVZENBPLY-ZCFIWIBFSA-N
MW297.78 g/mol
LogP1.25
Rot. Bonds3

About 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine

2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine (PubChem CID 177337552) has the molecular formula C10H12ClN7S and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
PubChem CID177337552
Molecular FormulaC10H12ClN7S
Molecular Weight297.78 g/mol
Exact Mass297.06
IUPAC Name2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(N[C@@H]2CCN(c3ccc(Cl)nn3)C2)s1
InChIInChI=1S/C10H12ClN7S/c11-7-1-2-8(15-14-7)18-4-3-6(5-18)13-10-17-16-9(12)19-10/h1-2,6H,3-5H2,(H2,12,16)(H,13,17)/t6-/m1/s1
InChIKeySGUPKNVZENBPLY-ZCFIWIBFSA-N
XLogP1.25
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[(3R)-1-hydroxypyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
CID 118554604
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
(3S)-1-(6-chloropyridazin-3-yl)piperidin-3-amine
CID 86318137
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
(1S)-1-methoxy-1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-[5-[[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]propan-2-one;(1R)-1-methoxy-1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-[5-[[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]propan-2-one;2-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
CID 161327488
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
(3R)-N-tert-butyl-1-(6-chloropyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 167504088
N-[5-[[1-[6-[(2-cyclooctylacetyl)amino]pyridazin-3-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]propanamide
CID 177337877
N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(6-chloropyridazin-3-yl)piperidin-4-amine
CID 95219570

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine (CID 177337552) is 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(N[C@@H]2CCN(c3ccc(Cl)nn3)C2)s1.
What is the InChIKey of 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is SGUPKNVZENBPLY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClN7S/c11-7-1-2-8(15-14-7)18-4-3-6(5-18)13-10-17-16-9(12)19-10/h1-2,6H,3-5H2,(H2,12,16)(H,13,17)/t6-/m1/s1.
What are the key properties of 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine?
2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 297.78 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 177337552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).