2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide

C16H22N4OS — CID 86801659

IUPAC2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(NCc2cnc(C(C)(C)C)s2)c1
InChIInChI=1S/C16H22N4OS/c1-16(2,3)15-19-10-12(22-15)9-18-13-8-11(6-7-17-13)14(21)20(4)5/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyDJYBFXNHVQCPBY-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide

2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 86801659) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide
PubChem CID86801659
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide
SMILESCN(C)C(=O)c1ccnc(NCc2cnc(C(C)(C)C)s2)c1
InChIInChI=1S/C16H22N4OS/c1-16(2,3)15-19-10-12(22-15)9-18-13-8-11(6-7-17-13)14(21)20(4)5/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyDJYBFXNHVQCPBY-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[[[4-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]carbamate
CID 100629934
4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbenzoic acid
CID 63120657
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-dimethylpyridine-4-carboxamide
CID 91649796
2-hydrazinyl-N,N-dimethylpyridine-4-carboxamide
CID 62236400
2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 62034388
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-6-fluoropyridin-2-amine
CID 116812815
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N,N-diethyl-2-(ethylamino)pyridine-4-carboxamide
CID 62172696
methyl 2-bromo-5-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 86785185
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
CID 86801668
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide (CID 86801659) is 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide is CN(C)C(=O)c1ccnc(NCc2cnc(C(C)(C)C)s2)c1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is DJYBFXNHVQCPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-16(2,3)15-19-10-12(22-15)9-18-13-8-11(6-7-17-13)14(21)20(4)5/h6-8,10H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide?
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 86801659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).