4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide

C16H26N4O3S — CID 110387446

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCOCC2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O3S/c1-13-15(16(21)17-2-3-19-4-8-22-9-5-19)24-14(18-13)12-20-6-10-23-11-7-20/h2-12H2,1H3,(H,17,21)
InChIKeyDPCHXQBRUNEHOQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.35
Rot. Bonds6

About 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387446) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387446
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCOCC2)sc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O3S/c1-13-15(16(21)17-2-3-19-4-8-22-9-5-19)24-14(18-13)12-20-6-10-23-11-7-20/h2-12H2,1H3,(H,17,21)
InChIKeyDPCHXQBRUNEHOQ-UHFFFAOYSA-N
XLogP0.35
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
4-methyl-N-(2-morpholin-4-ylethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084285
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387463
[4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110387437
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
CID 43045174
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 36842250
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
4-methyl-N-(2-morpholin-4-ylethyl)-2-[(4-sulfamoylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 166703248
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387446) is 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCOCC2)sc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DPCHXQBRUNEHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-13-15(16(21)17-2-3-19-4-8-22-9-5-19)24-14(18-13)12-20-6-10-23-11-7-20/h2-12H2,1H3,(H,17,21).
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).