N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C14H23N5O2S — CID 23087928

IUPACN-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC(CN)CC(=O)N(C)C)sc2C1
InChIInChI=1S/C14H23N5O2S/c1-18(2)12(20)6-9(7-15)16-13(21)14-17-10-4-5-19(3)8-11(10)22-14/h9H,4-8,15H2,1-3H3,(H,16,21)
InChIKeyDZDJXEAVZRJTAZ-UHFFFAOYSA-N
MW325.44 g/mol
LogP-0.33
Rot. Bonds5

About N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 23087928) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID23087928
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC(CN)CC(=O)N(C)C)sc2C1
InChIInChI=1S/C14H23N5O2S/c1-18(2)12(20)6-9(7-15)16-13(21)14-17-10-4-5-19(3)8-11(10)22-14/h9H,4-8,15H2,1-3H3,(H,16,21)
InChIKeyDZDJXEAVZRJTAZ-UHFFFAOYSA-N
XLogP-0.33
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 23087928) is N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC(CN)CC(=O)N(C)C)sc2C1.
What is the InChIKey of N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DZDJXEAVZRJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-18(2)12(20)6-9(7-15)16-13(21)14-17-10-4-5-19(3)8-11(10)22-14/h9H,4-8,15H2,1-3H3,(H,16,21).
What are the key properties of N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 23087928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).