(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone

C15H23N3OS — CID 138000124

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC3(CCN3)CC2)s1
InChIInChI=1S/C15H23N3OS/c1-14(2,3)13-16-10-11(20-13)12(19)18-8-5-15(6-9-18)4-7-17-15/h10,17H,4-9H2,1-3H3
InChIKeyANWSIOQBFQAVIP-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.41
Rot. Bonds1

About (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone

(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 138000124) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID138000124
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC3(CCN3)CC2)s1
InChIInChI=1S/C15H23N3OS/c1-14(2,3)13-16-10-11(20-13)12(19)18-8-5-15(6-9-18)4-7-17-15/h10,17H,4-9H2,1-3H3
InChIKeyANWSIOQBFQAVIP-UHFFFAOYSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 138000124) is (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone is CC(C)(C)c1ncc(C(=O)N2CCC3(CCN3)CC2)s1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is ANWSIOQBFQAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-14(2,3)13-16-10-11(20-13)12(19)18-8-5-15(6-9-18)4-7-17-15/h10,17H,4-9H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 293.44 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-(1,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 138000124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).