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

C13H21N3O2S — CID 74238464

IUPAC2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCOCC2)c(C)s1
InChIInChI=1S/C13H21N3O2S/c1-10-12(15-11(2)19-10)13(17)14-4-3-5-16-6-8-18-9-7-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyUXZJRRZDNDZZDN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.21
Rot. Bonds5

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

2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 74238464) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID74238464
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCOCC2)c(C)s1
InChIInChI=1S/C13H21N3O2S/c1-10-12(15-11(2)19-10)13(17)14-4-3-5-16-6-8-18-9-7-16/h3-9H2,1-2H3,(H,14,17)
InChIKeyUXZJRRZDNDZZDN-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 45819446
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 45887866
4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-5-carboxamide
CID 47035815
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49507163
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53501465
4-methyl-N-(2-piperidin-1-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53501831
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 53504150
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53505856
4-methyl-N-(2-morpholin-4-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53516080
N,N-bis(2-methoxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53524272
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 56812771
4-(4-Methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 53522944

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide (CID 74238464) is 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCN2CCOCC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UXZJRRZDNDZZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-12(15-11(2)19-10)13(17)14-4-3-5-16-6-8-18-9-7-16/h3-9H2,1-2H3,(H,14,17).
What are the key properties of 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74238464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).