2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide

C13H21N3O2S — CID 47426320

IUPAC2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)N2CCOCC2)s1
InChIInChI=1S/C13H21N3O2S/c1-3-12-14-9-11(19-12)13(17)15-8-10(2)16-4-6-18-7-5-16/h9-10H,3-8H2,1-2H3,(H,15,17)
InChIKeySIXNFOSQBOSWQK-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.16
Rot. Bonds5

About 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 47426320) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID47426320
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)N2CCOCC2)s1
InChIInChI=1S/C13H21N3O2S/c1-3-12-14-9-11(19-12)13(17)15-8-10(2)16-4-6-18-7-5-16/h9-10H,3-8H2,1-2H3,(H,15,17)
InChIKeySIXNFOSQBOSWQK-UHFFFAOYSA-N
XLogP1.16
TPSA54.46 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47426301
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
(2R)-2-amino-3-[[2-(ethoxymethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 178321632
2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
(2-Tert-butyl-1,3-thiazol-5-yl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 72126678
(2-Cyclopropyl-1,3-thiazol-5-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 86796249
[(2S)-2,4-diethylpiperazin-1-yl]-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]methanone
CID 125534054
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 75386298
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633
N-[(3R)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237830

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide (CID 47426320) is 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCC(C)N2CCOCC2)s1.
What is the InChIKey of 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SIXNFOSQBOSWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-12-14-9-11(19-12)13(17)15-8-10(2)16-4-6-18-7-5-16/h9-10H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47426320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).