(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide

C23H27N5O2S — CID 142524403

IUPAC(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CCC[C@@H]4N)CC3)nc12
InChIInChI=1S/C23H27N5O2S/c1-30-20-18-19(16(14-25-20)15-6-3-2-4-7-15)31-21(26-18)27-22(29)28-12-10-23(11-13-28)9-5-8-17(23)24/h2-4,6-7,14,17H,5,8-13,24H2,1H3,(H,26,27,29)/t17-/m0/s1
InChIKeyPWOZBLHCDDNVJL-KRWDZBQOSA-N
MW437.57 g/mol
LogP4.49
Rot. Bonds3

About (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide

(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 142524403) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID142524403
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CCC[C@@H]4N)CC3)nc12
InChIInChI=1S/C23H27N5O2S/c1-30-20-18-19(16(14-25-20)15-6-3-2-4-7-15)31-21(26-18)27-22(29)28-12-10-23(11-13-28)9-5-8-17(23)24/h2-4,6-7,14,17H,5,8-13,24H2,1H3,(H,26,27,29)/t17-/m0/s1
InChIKeyPWOZBLHCDDNVJL-KRWDZBQOSA-N
XLogP4.49
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide (CID 142524403) is (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CCC[C@@H]4N)CC3)nc12.
What is the InChIKey of (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is PWOZBLHCDDNVJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-30-20-18-19(16(14-25-20)15-6-3-2-4-7-15)31-21(26-18)27-22(29)28-12-10-23(11-13-28)9-5-8-17(23)24/h2-4,6-7,14,17H,5,8-13,24H2,1H3,(H,26,27,29)/t17-/m0/s1.
What are the key properties of (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide?
(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 142524403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).