2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H21N3O2S — CID 48985394

IUPAC2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(C(C)(C)C)nc2C)cn1
InChIInChI=1S/C16H21N3O2S/c1-10-13(22-15(19-10)16(2,3)4)14(20)18-9-11-6-7-12(21-5)17-8-11/h6-8H,9H2,1-5H3,(H,18,20)
InChIKeyCPCYWOKKXMYAHA-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.08
Rot. Bonds4

About 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 48985394) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID48985394
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(C(C)(C)C)nc2C)cn1
InChIInChI=1S/C16H21N3O2S/c1-10-13(22-15(19-10)16(2,3)4)14(20)18-9-11-6-7-12(21-5)17-8-11/h6-8H,9H2,1-5H3,(H,18,20)
InChIKeyCPCYWOKKXMYAHA-UHFFFAOYSA-N
XLogP3.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16602270
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
2-tert-butyl-N-[[2-[(2-hydroxypropanoylamino)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166375626
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
2-[[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245261
2-[[(6-methoxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629166
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
N-[(2-methoxy-4-pyridinyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47146135
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617310

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 48985394) is 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2sc(C(C)(C)C)nc2C)cn1.
What is the InChIKey of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CPCYWOKKXMYAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-13(22-15(19-10)16(2,3)4)14(20)18-9-11-6-7-12(21-5)17-8-11/h6-8H,9H2,1-5H3,(H,18,20).
What are the key properties of 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48985394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).