N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine

C17H29N7S — CID 128973736

IUPACN,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1nsc(N(C)C)n1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H29N7S/c1-21(2)17-19-15(20-25-17)12-22(3)10-13-7-6-8-23(4)16(13)14-9-18-24(5)11-14/h9,11,13,16H,6-8,10,12H2,1-5H3/t13-,16+/m0/s1
InChIKeyIVWQIGNWMKHDQP-XJKSGUPXSA-N
MW363.54 g/mol
LogP1.85
Rot. Bonds6

About N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 128973736) has the molecular formula C17H29N7S and a molecular weight of 363.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID128973736
Molecular FormulaC17H29N7S
Molecular Weight363.54 g/mol
Exact Mass363.22
IUPAC NameN,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1nsc(N(C)C)n1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H29N7S/c1-21(2)17-19-15(20-25-17)12-22(3)10-13-7-6-8-23(4)16(13)14-9-18-24(5)11-14/h9,11,13,16H,6-8,10,12H2,1-5H3/t13-,16+/m0/s1
InChIKeyIVWQIGNWMKHDQP-XJKSGUPXSA-N
XLogP1.85
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine (CID 128973736) is N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine is CN(Cc1nsc(N(C)C)n1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IVWQIGNWMKHDQP-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H29N7S/c1-21(2)17-19-15(20-25-17)12-22(3)10-13-7-6-8-23(4)16(13)14-9-18-24(5)11-14/h9,11,13,16H,6-8,10,12H2,1-5H3/t13-,16+/m0/s1.
What are the key properties of N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 363.54 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 128973736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).