N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C19H20N4O2S2 — CID 51958863

IUPACN-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cn2)C[C@@H](C)O1
InChIInChI=1S/C19H20N4O2S2/c1-12-9-23(10-13(2)25-12)17-6-5-14(8-20-17)21-18(24)15-11-27-19(22-15)16-4-3-7-26-16/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/t12-,13-/m1/s1
InChIKeySAXQOGIEKSPLHC-CHWSQXEVSA-N
MW400.53 g/mol
LogP4.13
Rot. Bonds4

About N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 51958863) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID51958863
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cn2)C[C@@H](C)O1
InChIInChI=1S/C19H20N4O2S2/c1-12-9-23(10-13(2)25-12)17-6-5-14(8-20-17)21-18(24)15-11-27-19(22-15)16-4-3-7-26-16/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/t12-,13-/m1/s1
InChIKeySAXQOGIEKSPLHC-CHWSQXEVSA-N
XLogP4.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-2-ylpropanamide
CID 51958831
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 94775965
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
CID 97024221
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[4-[2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55786099
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 46487138
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-thiophen-3-ylpropanamide
CID 51958852
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 51958863) is N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is C[C@@H]1CN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cn2)C[C@@H](C)O1.
What is the InChIKey of N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SAXQOGIEKSPLHC-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-12-9-23(10-13(2)25-12)17-6-5-14(8-20-17)21-18(24)15-11-27-19(22-15)16-4-3-7-26-16/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/t12-,13-/m1/s1.
What are the key properties of N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51958863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).