N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine

C17H21N5OS — CID 126919127

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
SMILESCN(c1nc2c(s1)COCC2)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C17H21N5OS/c1-21(17-18-14-5-6-23-10-15(14)24-17)12-8-22(9-12)16-7-11-3-2-4-13(11)19-20-16/h7,12H,2-6,8-10H2,1H3
InChIKeyGTRAGQXHSIGMAH-UHFFFAOYSA-N
MW343.46 g/mol
LogP1.82
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine (PubChem CID 126919127) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
PubChem CID126919127
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
SMILESCN(c1nc2c(s1)COCC2)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C17H21N5OS/c1-21(17-18-14-5-6-23-10-15(14)24-17)12-8-22(9-12)16-7-11-3-2-4-13(11)19-20-16/h7,12H,2-6,8-10H2,1H3
InChIKeyGTRAGQXHSIGMAH-UHFFFAOYSA-N
XLogP1.82
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine with MolForge

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Related Compounds

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 126919190
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 126917591
5-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 126918650
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 126921451
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine
CID 126918903
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918876
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
6-tert-butyl-N-methyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyridazin-3-amine
CID 126919645
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
CID 126918862
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 126919209
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine (CID 126919127) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine is CN(c1nc2c(s1)COCC2)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
The InChIKey is GTRAGQXHSIGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-21(17-18-14-5-6-23-10-15(14)24-17)12-8-22(9-12)16-7-11-3-2-4-13(11)19-20-16/h7,12H,2-6,8-10H2,1H3.
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine has a molecular weight of 343.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 126919127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).