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

C17H21N5OS — CID 126917143

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
SMILESc1cc(N2CC(CNc3nc4c(s3)COCC4)C2)nnc1C1CC1
InChIInChI=1S/C17H21N5OS/c1-2-12(1)13-3-4-16(21-20-13)22-8-11(9-22)7-18-17-19-14-5-6-23-10-15(14)24-17/h3-4,11-12H,1-2,5-10H2,(H,18,19)
InChIKeyRDLSEXYDOJJWKK-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.43
Rot. Bonds5

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

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine (PubChem CID 126917143) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
PubChem CID126917143
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
SMILESc1cc(N2CC(CNc3nc4c(s3)COCC4)C2)nnc1C1CC1
InChIInChI=1S/C17H21N5OS/c1-2-12(1)13-3-4-16(21-20-13)22-8-11(9-22)7-18-17-19-14-5-6-23-10-15(14)24-17/h3-4,11-12H,1-2,5-10H2,(H,18,19)
InChIKeyRDLSEXYDOJJWKK-UHFFFAOYSA-N
XLogP2.43
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]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-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]oxolane-3-carboxamide
CID 126916955
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 126917112
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 126917165
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 126917591
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 126920188
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 126918010
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126917195
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137077547

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine (CID 126917143) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine is c1cc(N2CC(CNc3nc4c(s3)COCC4)C2)nnc1C1CC1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
The InChIKey is RDLSEXYDOJJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-2-12(1)13-3-4-16(21-20-13)22-8-11(9-22)7-18-17-19-14-5-6-23-10-15(14)24-17/h3-4,11-12H,1-2,5-10H2,(H,18,19).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]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 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 126917143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).