N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C18H25N5O3S — CID 86819632

IUPACN-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCn1cc(C2CN(C(=O)Cc3csc(NC(=O)C(C)C)n3)CCO2)cn1
InChIInChI=1S/C18H25N5O3S/c1-4-23-9-13(8-19-23)15-10-22(5-6-26-15)16(24)7-14-11-27-18(20-14)21-17(25)12(2)3/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,21,25)
InChIKeyQLCMVCAINITCGS-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.10
Rot. Bonds6

About N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 86819632) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID86819632
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCn1cc(C2CN(C(=O)Cc3csc(NC(=O)C(C)C)n3)CCO2)cn1
InChIInChI=1S/C18H25N5O3S/c1-4-23-9-13(8-19-23)15-10-22(5-6-26-15)16(24)7-14-11-27-18(20-14)21-17(25)12(2)3/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,21,25)
InChIKeyQLCMVCAINITCGS-UHFFFAOYSA-N
XLogP2.10
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624168
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
2-methyl-N-[4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119539615
N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
1-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]prop-2-en-1-one
CID 126841376
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 99827534
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(1R)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 99827535
(2R)-2-(1-ethylpyrazol-4-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 99833787
2-methyl-N-[4-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119543944
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55903005
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120817223
N-[4-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 81197033

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 86819632) is N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CCn1cc(C2CN(C(=O)Cc3csc(NC(=O)C(C)C)n3)CCO2)cn1.
What is the InChIKey of N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is QLCMVCAINITCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-4-23-9-13(8-19-23)15-10-22(5-6-26-15)16(24)7-14-11-27-18(20-14)21-17(25)12(2)3/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,21,25).
What are the key properties of N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 391.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 86819632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).