2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide

C11H17N3O2S — CID 117090897

IUPAC2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-3-12-10(15)9-8-13-11(17-9)14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyUVNYPIGVHWSXAU-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.12
Rot. Bonds4

About 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide

2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117090897) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117090897
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-3-12-10(15)9-8-13-11(17-9)14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyUVNYPIGVHWSXAU-UHFFFAOYSA-N
XLogP1.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11558091
2-(Morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 1479770
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 686432
N,N-diethyl-5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 53626923
2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 75430485
[2-(Ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
2-amino-N-methyl-N-(4-morpholin-4-ylbutyl)-1,3-thiazole-5-carboxamide
CID 124218298
N-cycloheptyl-2-(2-morpholin-4-ylethylamino)-1,3-thiazole-5-carboxamide
CID 139263977
N-(2-fluoroethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 130736154
1-Morpholin-4-yl-3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-1-one
CID 133522370
N-[2-(4-isobutylmorpholin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 56760390

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide (CID 117090897) is 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(N2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is UVNYPIGVHWSXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-3-12-10(15)9-8-13-11(17-9)14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide?
2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).