N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide

C18H27N5O2S — CID 94819885

IUPACN-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1
InChIInChI=1S/C18H27N5O2S/c1-13-9-22(10-14(2)25-13)11-16-12-26-18(20-16)21-17(24)5-4-7-23-8-6-19-15(23)3/h6,8,12-14H,4-5,7,9-11H2,1-3H3,(H,20,21,24)/t13-,14-/m1/s1
InChIKeyOLODBPJDEFOBJT-ZIAGYGMSSA-N
MW377.51 g/mol
LogP2.68
Rot. Bonds7

About N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide

N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide (PubChem CID 94819885) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
PubChem CID94819885
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1
InChIInChI=1S/C18H27N5O2S/c1-13-9-22(10-14(2)25-13)11-16-12-26-18(20-16)21-17(24)5-4-7-23-8-6-19-15(23)3/h6,8,12-14H,4-5,7,9-11H2,1-3H3,(H,20,21,24)/t13-,14-/m1/s1
InChIKeyOLODBPJDEFOBJT-ZIAGYGMSSA-N
XLogP2.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55519150
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
CID 124731109
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 51324198
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 30193598
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 42897621
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42933483

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide (CID 94819885) is N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide is Cc1nccn1CCCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1.
What is the InChIKey of N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide?
The InChIKey is OLODBPJDEFOBJT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-13-9-22(10-14(2)25-13)11-16-12-26-18(20-16)21-17(24)5-4-7-23-8-6-19-15(23)3/h6,8,12-14H,4-5,7,9-11H2,1-3H3,(H,20,21,24)/t13-,14-/m1/s1.
What are the key properties of N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide?
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide has a molecular weight of 377.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 94819885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).