2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide

C12H17N3O2S — CID 125143689

IUPAC2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide
SMILESC[C@H]1CN(c2nc(C(N)=O)cs2)C[C@H](C2CC2)O1
InChIInChI=1S/C12H17N3O2S/c1-7-4-15(5-10(17-7)8-2-3-8)12-14-9(6-18-12)11(13)16/h6-8,10H,2-5H2,1H3,(H2,13,16)/t7-,10+/m0/s1
InChIKeyVPKDCSZYCLSSME-OIBJUYFYSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds3

About 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide

2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 125143689) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID125143689
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide
SMILESC[C@H]1CN(c2nc(C(N)=O)cs2)C[C@H](C2CC2)O1
InChIInChI=1S/C12H17N3O2S/c1-7-4-15(5-10(17-7)8-2-3-8)12-14-9(6-18-12)11(13)16/h6-8,10H,2-5H2,1H3,(H2,13,16)/t7-,10+/m0/s1
InChIKeyVPKDCSZYCLSSME-OIBJUYFYSA-N
XLogP1.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

methyl 3-[2-(2-cyclopropyl-6-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoate
CID 154759902
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
[1-(4-carbamoyl-1,3-thiazol-2-yl)pyrrolidin-3-yl] methanesulfonate
CID 22242894
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-4-carboxylate
CID 80569525
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 133130632
2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70763911
2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide
CID 133136164
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
carbamoyl-[2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]-methyl-propan-2-ylazanium
CID 87884736

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide (CID 125143689) is 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide is C[C@H]1CN(c2nc(C(N)=O)cs2)C[C@H](C2CC2)O1.
What is the InChIKey of 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VPKDCSZYCLSSME-OIBJUYFYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7-4-15(5-10(17-7)8-2-3-8)12-14-9(6-18-12)11(13)16/h6-8,10H,2-5H2,1H3,(H2,13,16)/t7-,10+/m0/s1.
What are the key properties of 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide?
2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125143689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).