N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide

C18H20N4O4S — CID 170599669

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)NC(C)(C)C(N)=O)c(C)oc2cn1
InChIInChI=1S/C18H20N4O4S/c1-9-13(27-8-21-9)7-25-14-5-11-12(6-20-14)26-10(2)15(11)16(23)22-18(3,4)17(19)24/h5-6,8H,7H2,1-4H3,(H2,19,24)(H,22,23)
InChIKeyBQCHIQVJLKWART-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.47
Rot. Bonds6

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170599669) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide
PubChem CID170599669
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1COc1cc2c(C(=O)NC(C)(C)C(N)=O)c(C)oc2cn1
InChIInChI=1S/C18H20N4O4S/c1-9-13(27-8-21-9)7-25-14-5-11-12(6-20-14)26-10(2)15(11)16(23)22-18(3,4)17(19)24/h5-6,8H,7H2,1-4H3,(H2,19,24)(H,22,23)
InChIKeyBQCHIQVJLKWART-UHFFFAOYSA-N
XLogP2.47
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide (CID 170599669) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide is Cc1ncsc1COc1cc2c(C(=O)NC(C)(C)C(N)=O)c(C)oc2cn1.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is BQCHIQVJLKWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-9-13(27-8-21-9)7-25-14-5-11-12(6-20-14)26-10(2)15(11)16(23)22-18(3,4)17(19)24/h5-6,8H,7H2,1-4H3,(H2,19,24)(H,22,23).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170599669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).