2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C13H21N3O2S — CID 90104342

IUPAC2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CC1CN(Cc2nc(C(N)=O)cs2)CCO1
InChIInChI=1S/C13H21N3O2S/c1-9(2)5-10-6-16(3-4-18-10)7-12-15-11(8-19-12)13(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)
InChIKeyQDZJZOAZJSETNW-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.49
Rot. Bonds5

About 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide

2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 90104342) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID90104342
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CC1CN(Cc2nc(C(N)=O)cs2)CCO1
InChIInChI=1S/C13H21N3O2S/c1-9(2)5-10-6-16(3-4-18-10)7-12-15-11(8-19-12)13(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17)
InChIKeyQDZJZOAZJSETNW-UHFFFAOYSA-N
XLogP1.49
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 81490860
2-(2-aminoethyl)-N-[(4-benzylmorpholin-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639786
2-[(3-ethylazetidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 79688727
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129343555
2-[2-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide
CID 67168476
2-[methyl-[[(2R)-4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340998
2-[methyl-[[(2S)-4-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]methyl]amino]acetic acid
CID 129475590
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 66435835
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807837
5-[(2-ethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80607098

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 90104342) is 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide is CC(C)CC1CN(Cc2nc(C(N)=O)cs2)CCO1.
What is the InChIKey of 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QDZJZOAZJSETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)5-10-6-16(3-4-18-10)7-12-15-11(8-19-12)13(14)17/h8-10H,3-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90104342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).