N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide

C22H23N5O2S — CID 26399006

IUPACN-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1nc2sccn2c1C(=O)N1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C22H23N5O2S/c1-14-19(27-9-10-30-22(27)24-14)21(29)26-8-4-5-15(13-26)12-23-20(28)18-11-16-6-2-3-7-17(16)25-18/h2-3,6-7,9-11,15,25H,4-5,8,12-13H2,1H3,(H,23,28)/t15-/m0/s1
InChIKeyKYPRXVYYHIPDQW-HNNXBMFYSA-N
MW421.53 g/mol
LogP3.47
Rot. Bonds4

About N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide

N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 26399006) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID26399006
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1nc2sccn2c1C(=O)N1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C22H23N5O2S/c1-14-19(27-9-10-30-22(27)24-14)21(29)26-8-4-5-15(13-26)12-23-20(28)18-11-16-6-2-3-7-17(16)25-18/h2-3,6-7,9-11,15,25H,4-5,8,12-13H2,1H3,(H,23,28)/t15-/m0/s1
InChIKeyKYPRXVYYHIPDQW-HNNXBMFYSA-N
XLogP3.47
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 72870229
ethyl 3-[[(3R)-3-[(1H-indole-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]propanoate
CID 25461417
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
CID 42197512
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931178
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
N-[[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 72870683

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 26399006) is N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is Cc1nc2sccn2c1C(=O)N1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is KYPRXVYYHIPDQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-14-19(27-9-10-30-22(27)24-14)21(29)26-8-4-5-15(13-26)12-23-20(28)18-11-16-6-2-3-7-17(16)25-18/h2-3,6-7,9-11,15,25H,4-5,8,12-13H2,1H3,(H,23,28)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 26399006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).