N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide

C12H16N6OS — CID 124590300

IUPACN-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
SMILESCn1cc(N2CCC[C@H](NC(=O)c3cnsn3)C2)cn1
InChIInChI=1S/C12H16N6OS/c1-17-8-10(5-13-17)18-4-2-3-9(7-18)15-12(19)11-6-14-20-16-11/h5-6,8-9H,2-4,7H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeyRHGNWLOOUWSRHJ-VIFPVBQESA-N
MW292.37 g/mol
LogP0.67
Rot. Bonds3

About N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide

N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 124590300) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID124590300
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
SMILESCn1cc(N2CCC[C@H](NC(=O)c3cnsn3)C2)cn1
InChIInChI=1S/C12H16N6OS/c1-17-8-10(5-13-17)18-4-2-3-9(7-18)15-12(19)11-6-14-20-16-11/h5-6,8-9H,2-4,7H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeyRHGNWLOOUWSRHJ-VIFPVBQESA-N
XLogP0.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
3-tert-butyl-1-methyl-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-5-carboxamide
CID 124590446
1-tert-butyl-5-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrazole-4-carboxamide
CID 124590432
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
N-cyclopropyl-1,2,5-thiadiazole-3-carboxamide
CID 60858227
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
3-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 119889300
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide (CID 124590300) is N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide is Cn1cc(N2CCC[C@H](NC(=O)c3cnsn3)C2)cn1.
What is the InChIKey of N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is RHGNWLOOUWSRHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N6OS/c1-17-8-10(5-13-17)18-4-2-3-9(7-18)15-12(19)11-6-14-20-16-11/h5-6,8-9H,2-4,7H2,1H3,(H,15,19)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide?
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 124590300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).