(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C12H16BrN3O2S — CID 99829886

IUPAC(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESC=C(Br)CNC(=O)N1CCOC[C@@H]1c1nc(C)cs1
InChIInChI=1S/C12H16BrN3O2S/c1-8(13)5-14-12(17)16-3-4-18-6-10(16)11-15-9(2)7-19-11/h7,10H,1,3-6H2,2H3,(H,14,17)/t10-/m1/s1
InChIKeyOYTNMPVPIDKZIT-SNVBAGLBSA-N
MW346.25 g/mol
LogP2.44
Rot. Bonds3

About (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 99829886) has the molecular formula C12H16BrN3O2S and a molecular weight of 346.25 g/mol. Its IUPAC name is (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID99829886
Molecular FormulaC12H16BrN3O2S
Molecular Weight346.25 g/mol
Exact Mass345.01
IUPAC Name(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESC=C(Br)CNC(=O)N1CCOC[C@@H]1c1nc(C)cs1
InChIInChI=1S/C12H16BrN3O2S/c1-8(13)5-14-12(17)16-3-4-18-6-10(16)11-15-9(2)7-19-11/h7,10H,1,3-6H2,2H3,(H,14,17)/t10-/m1/s1
InChIKeyOYTNMPVPIDKZIT-SNVBAGLBSA-N
XLogP2.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829842
(3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99830526
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 131960819
(3R)-N-[(3R)-1-ethylpiperidin-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99788458
[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126795570
[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
CID 154779345
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788583
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
(4R)-N-benzoyl-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxamide
CID 68670924
[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 126786163
tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate
CID 68672051
(3R)-3-(4-methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 99830623

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 99829886) is (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is C=C(Br)CNC(=O)N1CCOC[C@@H]1c1nc(C)cs1.
What is the InChIKey of (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is OYTNMPVPIDKZIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrN3O2S/c1-8(13)5-14-12(17)16-3-4-18-6-10(16)11-15-9(2)7-19-11/h7,10H,1,3-6H2,2H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 346.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 99829886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).