N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 97146350

IUPACN-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOC[C@H](c1ccccn1)N(C)C(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C17H23N3O2S/c1-11(2)16-19-12(3)15(23-16)17(21)20(4)14(10-22-5)13-8-6-7-9-18-13/h6-9,11,14H,10H2,1-5H3/t14-/m1/s1
InChIKeyABTSAEUWDPQDKY-CQSZACIVSA-N
MW333.46 g/mol
LogP3.43
Rot. Bonds6

About N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 97146350) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID97146350
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOC[C@H](c1ccccn1)N(C)C(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C17H23N3O2S/c1-11(2)16-19-12(3)15(23-16)17(21)20(4)14(10-22-5)13-8-6-7-9-18-13/h6-9,11,14H,10H2,1-5H3/t14-/m1/s1
InChIKeyABTSAEUWDPQDKY-CQSZACIVSA-N
XLogP3.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 99952767
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
CID 125159367
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 97132449
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 97146350) is N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is COC[C@H](c1ccccn1)N(C)C(=O)c1sc(C(C)C)nc1C.
What is the InChIKey of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ABTSAEUWDPQDKY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(2)16-19-12(3)15(23-16)17(21)20(4)14(10-22-5)13-8-6-7-9-18-13/h6-9,11,14H,10H2,1-5H3/t14-/m1/s1.
What are the key properties of N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97146350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).