N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide

C20H26N4O3S — CID 171915681

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(CN(C)C(=O)c2csc([C@@H](C)NC(=O)[C@@H]3CCCO3)n2)c1
InChIInChI=1S/C20H26N4O3S/c1-12-8-13(2)21-15(9-12)10-24(4)20(26)16-11-28-19(23-16)14(3)22-18(25)17-6-5-7-27-17/h8-9,11,14,17H,5-7,10H2,1-4H3,(H,22,25)/t14-,17+/m1/s1
InChIKeyDIMDNMNMGLLTMT-PBHICJAKSA-N
MW402.52 g/mol
LogP2.78
Rot. Bonds6

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 171915681) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID171915681
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)nc(CN(C)C(=O)c2csc([C@@H](C)NC(=O)[C@@H]3CCCO3)n2)c1
InChIInChI=1S/C20H26N4O3S/c1-12-8-13(2)21-15(9-12)10-24(4)20(26)16-11-28-19(23-16)14(3)22-18(25)17-6-5-7-27-17/h8-9,11,14,17H,5-7,10H2,1-4H3,(H,22,25)/t14-,17+/m1/s1
InChIKeyDIMDNMNMGLLTMT-PBHICJAKSA-N
XLogP2.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104855810
2-(1-aminoethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390687
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-(2,3-dihydro-1H-inden-5-yl)-2-[(1S)-2-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]propyl]-1,3-thiazole-4-carboxamide
CID 171914335
(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
CID 92563868
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149
2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374345
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
CID 131925768
N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109477905

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide (CID 171915681) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)nc(CN(C)C(=O)c2csc([C@@H](C)NC(=O)[C@@H]3CCCO3)n2)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DIMDNMNMGLLTMT-PBHICJAKSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-12-8-13(2)21-15(9-12)10-24(4)20(26)16-11-28-19(23-16)14(3)22-18(25)17-6-5-7-27-17/h8-9,11,14,17H,5-7,10H2,1-4H3,(H,22,25)/t14-,17+/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1R)-1-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171915681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).