N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide

C19H26N4O2S — CID 124731109

IUPACN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1
InChIInChI=1S/C19H26N4O2S/c1-13-6-16(8-20-7-13)4-5-18(24)22-19-21-17(12-26-19)11-23-9-14(2)25-15(3)10-23/h6-8,12,14-15H,4-5,9-11H2,1-3H3,(H,21,22,24)/t14-,15-/m0/s1
InChIKeyIPRWIVSIGGPCRW-GJZGRUSLSA-N
MW374.51 g/mol
LogP3.03
Rot. Bonds6

About N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide

N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide (PubChem CID 124731109) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
PubChem CID124731109
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1
InChIInChI=1S/C19H26N4O2S/c1-13-6-16(8-20-7-13)4-5-18(24)22-19-21-17(12-26-19)11-23-9-14(2)25-15(3)10-23/h6-8,12,14-15H,4-5,9-11H2,1-3H3,(H,21,22,24)/t14-,15-/m0/s1
InChIKeyIPRWIVSIGGPCRW-GJZGRUSLSA-N
XLogP3.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134051912
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119840435
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 134055791
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55519150
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide?
The IUPAC name of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide (CID 124731109) is N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide?
The canonical SMILES for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide is Cc1cncc(CCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1.
What is the InChIKey of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide?
The InChIKey is IPRWIVSIGGPCRW-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-6-16(8-20-7-13)4-5-18(24)22-19-21-17(12-26-19)11-23-9-14(2)25-15(3)10-23/h6-8,12,14-15H,4-5,9-11H2,1-3H3,(H,21,22,24)/t14-,15-/m0/s1.
What are the key properties of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide?
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 124731109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).