N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide

C18H23N5O3S — CID 171386800

IUPACN-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccnnc1)c1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C18H23N5O3S/c1-12(2)9-14(21-16(24)13-3-4-19-20-10-13)17-22-15(11-27-17)18(25)23-5-7-26-8-6-23/h3-4,10-12,14H,5-9H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyMYZNBTFBFNHDGX-CQSZACIVSA-N
MW389.48 g/mol
LogP1.92
Rot. Bonds6

About N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide

N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide (PubChem CID 171386800) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide
PubChem CID171386800
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccnnc1)c1nc(C(=O)N2CCOCC2)cs1
InChIInChI=1S/C18H23N5O3S/c1-12(2)9-14(21-16(24)13-3-4-19-20-10-13)17-22-15(11-27-17)18(25)23-5-7-26-8-6-23/h3-4,10-12,14H,5-9H2,1-2H3,(H,21,24)/t14-/m1/s1
InChIKeyMYZNBTFBFNHDGX-CQSZACIVSA-N
XLogP1.92
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 124842272
N-[(1R)-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 171908261
N-(3-morpholin-4-ylbutyl)pyridazine-4-carboxamide
CID 91307914
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114124
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
CID 110308146
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide (CID 171386800) is N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide is CC(C)C[C@@H](NC(=O)c1ccnnc1)c1nc(C(=O)N2CCOCC2)cs1.
What is the InChIKey of N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide?
The InChIKey is MYZNBTFBFNHDGX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12(2)9-14(21-16(24)13-3-4-19-20-10-13)17-22-15(11-27-17)18(25)23-5-7-26-8-6-23/h3-4,10-12,14H,5-9H2,1-2H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide?
N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]butyl]pyridazine-4-carboxamide is sourced from PubChem (CID 171386800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).