N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H25N5OS — CID 56896699

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C19H25N5OS/c25-17(16-10-19(13-23-16)4-8-20-9-5-19)22-7-3-15-12-26-18(24-15)14-2-1-6-21-11-14/h1-2,6,11-12,16,20,23H,3-5,7-10,13H2,(H,22,25)
InChIKeySYDUIQNACGKPPF-UHFFFAOYSA-N
MW371.51 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56896699) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56896699
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C19H25N5OS/c25-17(16-10-19(13-23-16)4-8-20-9-5-19)22-7-3-15-12-26-18(24-15)14-2-1-6-21-11-14/h1-2,6,11-12,16,20,23H,3-5,7-10,13H2,(H,22,25)
InChIKeySYDUIQNACGKPPF-UHFFFAOYSA-N
XLogP1.60
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56896699) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is SYDUIQNACGKPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-17(16-10-19(13-23-16)4-8-20-9-5-19)22-7-3-15-12-26-18(24-15)14-2-1-6-21-11-14/h1-2,6,11-12,16,20,23H,3-5,7-10,13H2,(H,22,25).
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56896699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).