(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

C16H19N7OS — CID 126450449

IUPAC(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCc1nn2cc(CNC(=O)N3CCC[C@H](c4ccncn4)C3)nc2s1
InChIInChI=1S/C16H19N7OS/c1-11-21-23-9-13(20-16(23)25-11)7-18-15(24)22-6-2-3-12(8-22)14-4-5-17-10-19-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,18,24)/t12-/m0/s1
InChIKeyFDQYSIZIJGBEBI-LBPRGKRZSA-N
MW357.44 g/mol
LogP1.98
Rot. Bonds3

About (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 126450449) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID126450449
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCc1nn2cc(CNC(=O)N3CCC[C@H](c4ccncn4)C3)nc2s1
InChIInChI=1S/C16H19N7OS/c1-11-21-23-9-13(20-16(23)25-11)7-18-15(24)22-6-2-3-12(8-22)14-4-5-17-10-19-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,18,24)/t12-/m0/s1
InChIKeyFDQYSIZIJGBEBI-LBPRGKRZSA-N
XLogP1.98
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126440384
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096396
(3R)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126445256
(3S)-N-[4-(azepan-1-yl)butyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 126437475
(3S)-N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125168484
(3S)-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125440257
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
N-[2-oxo-2-(3-pyrimidin-4-ylpiperidin-1-yl)ethyl]methanesulfonamide
CID 110096368
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234
(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide (CID 126450449) is (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide is Cc1nn2cc(CNC(=O)N3CCC[C@H](c4ccncn4)C3)nc2s1.
What is the InChIKey of (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is FDQYSIZIJGBEBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-11-21-23-9-13(20-16(23)25-11)7-18-15(24)22-6-2-3-12(8-22)14-4-5-17-10-19-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,18,24)/t12-/m0/s1.
What are the key properties of (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
(3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126450449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).