N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

C14H17N3O2S — CID 97338998

IUPACN-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](C)Oc1cc(CNC(=O)c2cscn2)ccn1
InChIInChI=1S/C14H17N3O2S/c1-3-10(2)19-13-6-11(4-5-15-13)7-16-14(18)12-8-20-9-17-12/h4-6,8-10H,3,7H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyXFCQLXVEYYHCGZ-SNVBAGLBSA-N
MW291.38 g/mol
LogP2.65
Rot. Bonds6

About N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide

N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 97338998) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID97338998
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](C)Oc1cc(CNC(=O)c2cscn2)ccn1
InChIInChI=1S/C14H17N3O2S/c1-3-10(2)19-13-6-11(4-5-15-13)7-16-14(18)12-8-20-9-17-12/h4-6,8-10H,3,7H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyXFCQLXVEYYHCGZ-SNVBAGLBSA-N
XLogP2.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-butan-2-yloxy-4-pyridinyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122009244
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
4-methyl-N-[[2-[(2S)-4-methylpentan-2-yl]oxy-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 97067444
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86949292
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine
CID 111763503
N-[[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]methyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 124918146

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide (CID 97338998) is N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is CC[C@@H](C)Oc1cc(CNC(=O)c2cscn2)ccn1.
What is the InChIKey of N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XFCQLXVEYYHCGZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-10(2)19-13-6-11(4-5-15-13)7-16-14(18)12-8-20-9-17-12/h4-6,8-10H,3,7H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97338998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).