N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide

C17H19N5O2S — CID 95558715

IUPACN-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1N1CCOCC1)c1cn2ccsc2n1
InChIInChI=1S/C17H19N5O2S/c1-12(14-11-22-7-10-25-17(22)20-14)19-16(23)13-3-2-4-18-15(13)21-5-8-24-9-6-21/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,23)/t12-/m0/s1
InChIKeyDKMHUJMLJWWMGB-LBPRGKRZSA-N
MW357.44 g/mol
LogP2.12
Rot. Bonds4

About N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 95558715) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID95558715
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1N1CCOCC1)c1cn2ccsc2n1
InChIInChI=1S/C17H19N5O2S/c1-12(14-11-22-7-10-25-17(22)20-14)19-16(23)13-3-2-4-18-15(13)21-5-8-24-9-6-21/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,23)/t12-/m0/s1
InChIKeyDKMHUJMLJWWMGB-LBPRGKRZSA-N
XLogP2.12
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide with MolForge

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Related Compounds

Srt-2104
CID 25108829
N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
N-(2-aminoethyl)-5-[2-[[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980349
CID 134137835
CID 134137835
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[7-[5-(trifluoromethyl)pyrimidin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl]methanone
CID 137661261
N-(3-(5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886313
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 121476884
1-[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one
CID 134156774
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 156885803
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]-4-(1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 166626920
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126842492

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 95558715) is N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1N1CCOCC1)c1cn2ccsc2n1.
What is the InChIKey of N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is DKMHUJMLJWWMGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(14-11-22-7-10-25-17(22)20-14)19-16(23)13-3-2-4-18-15(13)21-5-8-24-9-6-21/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 95558715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).