(5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

C17H27N5O2S — CID 97360246

IUPAC(5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1C[C@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C17H27N5O2S/c1-4-21-12-17(9-15(21)23)11-20(10-14-18-5-8-25-14)6-7-22(13-17)16(24)19(2)3/h5,8H,4,6-7,9-13H2,1-3H3/t17-/m0/s1
InChIKeyKROOGUQYXPZLOF-KRWDZBQOSA-N
MW365.50 g/mol
LogP1.18
Rot. Bonds3

About (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide

(5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (PubChem CID 97360246) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.

Molecular Properties

Compound Name(5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
PubChem CID97360246
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name(5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
SMILESCCN1C[C@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C17H27N5O2S/c1-4-21-12-17(9-15(21)23)11-20(10-14-18-5-8-25-14)6-7-22(13-17)16(24)19(2)3/h5,8H,4,6-7,9-13H2,1-3H3/t17-/m0/s1
InChIKeyKROOGUQYXPZLOF-KRWDZBQOSA-N
XLogP1.18
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The IUPAC name of (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide (CID 97360246) is (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide.
What is the SMILES notation for (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The canonical SMILES for (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is CCN1C[C@]2(CC1=O)CN(Cc1nccs1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
The InChIKey is KROOGUQYXPZLOF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-4-21-12-17(9-15(21)23)11-20(10-14-18-5-8-25-14)6-7-22(13-17)16(24)19(2)3/h5,8H,4,6-7,9-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide?
(5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide is sourced from PubChem (CID 97360246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).