2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane

C18H24ClN7O2S — CID 153355687

IUPAC2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane
SMILESCCC.Cc1nc(NC2CN(C(=O)c3cnc(Cl)s3)C2)nc2c1NC(=O)CN2C
InChIInChI=1S/C15H16ClN7O2S.C3H8/c1-7-11-12(22(2)6-10(24)20-11)21-15(18-7)19-8-4-23(5-8)13(25)9-3-17-14(16)26-9;1-3-2/h3,8H,4-6H2,1-2H3,(H,20,24)(H,18,19,21);3H2,1-2H3
InChIKeyBTUAYFJJVQNLJZ-UHFFFAOYSA-N
MW437.96 g/mol
LogP2.64
Rot. Bonds3

About 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane

2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane (PubChem CID 153355687) has the molecular formula C18H24ClN7O2S and a molecular weight of 437.96 g/mol. Its IUPAC name is 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane.

Molecular Properties

Compound Name2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane
PubChem CID153355687
Molecular FormulaC18H24ClN7O2S
Molecular Weight437.96 g/mol
Exact Mass437.14
IUPAC Name2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane
SMILESCCC.Cc1nc(NC2CN(C(=O)c3cnc(Cl)s3)C2)nc2c1NC(=O)CN2C
InChIInChI=1S/C15H16ClN7O2S.C3H8/c1-7-11-12(22(2)6-10(24)20-11)21-15(18-7)19-8-4-23(5-8)13(25)9-3-17-14(16)26-9;1-3-2/h3,8H,4-6H2,1-2H3,(H,20,24)(H,18,19,21);3H2,1-2H3
InChIKeyBTUAYFJJVQNLJZ-UHFFFAOYSA-N
XLogP2.64
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.96
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane?
The IUPAC name of 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane (CID 153355687) is 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane.
What is the SMILES notation for 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane?
The canonical SMILES for 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane is CCC.Cc1nc(NC2CN(C(=O)c3cnc(Cl)s3)C2)nc2c1NC(=O)CN2C.
What is the InChIKey of 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane?
The InChIKey is BTUAYFJJVQNLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O2S.C3H8/c1-7-11-12(22(2)6-10(24)20-11)21-15(18-7)19-8-4-23(5-8)13(25)9-3-17-14(16)26-9;1-3-2/h3,8H,4-6H2,1-2H3,(H,20,24)(H,18,19,21);3H2,1-2H3.
What are the key properties of 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane?
2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane has a molecular weight of 437.96 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chloro-1,3-thiazole-5-carbonyl)azetidin-3-yl]amino]-4,8-dimethyl-5,7-dihydropteridin-6-one;propane is sourced from PubChem (CID 153355687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).