2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide

C14H23N3OS2 — CID 71933418

IUPAC2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCc2csc(C(C)C)n2)CCS1
InChIInChI=1S/C14H23N3OS2/c1-10(2)13-16-12(9-20-13)4-5-15-14(18)17-6-7-19-11(3)8-17/h9-11H,4-8H2,1-3H3,(H,15,18)
InChIKeyFWQJSEWYJHVFNX-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide

2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide (PubChem CID 71933418) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
PubChem CID71933418
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCCc2csc(C(C)C)n2)CCS1
InChIInChI=1S/C14H23N3OS2/c1-10(2)13-16-12(9-20-13)4-5-15-14(18)17-6-7-19-11(3)8-17/h9-11H,4-8H2,1-3H3,(H,15,18)
InChIKeyFWQJSEWYJHVFNX-UHFFFAOYSA-N
XLogP2.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124568089
4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 126766675
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
N-butyl-2-methylthiomorpholine-4-carboxamide
CID 115612052
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111738430
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505742
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000069
N'-methyl-4-(oxolane-2-carbonyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111300397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide (CID 71933418) is 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide is CC1CN(C(=O)NCCc2csc(C(C)C)n2)CCS1.
What is the InChIKey of 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide?
The InChIKey is FWQJSEWYJHVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-10(2)13-16-12(9-20-13)4-5-15-14(18)17-6-7-19-11(3)8-17/h9-11H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide?
2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide has a molecular weight of 313.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 71933418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).