N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C14H16N6O2S — CID 121027863

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(N3CCCC3)nn2)n1
InChIInChI=1S/C14H16N6O2S/c15-11(21)7-9-8-23-14(16-9)17-13(22)10-3-4-12(19-18-10)20-5-1-2-6-20/h3-4,8H,1-2,5-7H2,(H2,15,21)(H,16,17,22)
InChIKeyFRUDOILHQUJOMY-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.81
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027863) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027863
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2ccc(N3CCCC3)nn2)n1
InChIInChI=1S/C14H16N6O2S/c15-11(21)7-9-8-23-14(16-9)17-13(22)10-3-4-12(19-18-10)20-5-1-2-6-20/h3-4,8H,1-2,5-7H2,(H2,15,21)(H,16,17,22)
InChIKeyFRUDOILHQUJOMY-UHFFFAOYSA-N
XLogP0.81
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 51108343
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide
CID 24584483
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120566235
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027863) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is NC(=O)Cc1csc(NC(=O)c2ccc(N3CCCC3)nn2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is FRUDOILHQUJOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c15-11(21)7-9-8-23-14(16-9)17-13(22)10-3-4-12(19-18-10)20-5-1-2-6-20/h3-4,8H,1-2,5-7H2,(H2,15,21)(H,16,17,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).