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

C16H25N5O2S — CID 97360026

IUPAC(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCN(Cc2nccs2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C16H25N5O2S/c1-12(2)19-15(23)21-5-4-20(8-14-17-3-6-24-14)10-16(11-21)7-13(22)18-9-16/h3,6,12H,4-5,7-11H2,1-2H3,(H,18,22)(H,19,23)/t16-/m0/s1
InChIKeyHVHBJSZGVDUAFZ-INIZCTEOSA-N
MW351.48 g/mol
LogP0.88
Rot. Bonds3

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

(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97360026) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97360026
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCN(Cc2nccs2)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C16H25N5O2S/c1-12(2)19-15(23)21-5-4-20(8-14-17-3-6-24-14)10-16(11-21)7-13(22)18-9-16/h3,6,12H,4-5,7-11H2,1-2H3,(H,18,22)(H,19,23)/t16-/m0/s1
InChIKeyHVHBJSZGVDUAFZ-INIZCTEOSA-N
XLogP0.88
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-N-propan-2-yl-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482915
(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360020
(5R)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360086
(5S)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360085
(5S)-10-acetyl-2-methyl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360069
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360042
N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131657857
1-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233453
2-ethyl-N,N-dimethyl-3-oxo-10-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155829955
2-methyl-7-[(5-methylthiophen-2-yl)methyl]-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131647679
2-methyl-3-oxo-N-propan-2-yl-7-(pyridin-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746301

Frequently Asked Questions

What is the IUPAC name of (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97360026) is (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(C)NC(=O)N1CCN(Cc2nccs2)C[C@]2(CNC(=O)C2)C1.
What is the InChIKey of (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is HVHBJSZGVDUAFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-12(2)19-15(23)21-5-4-20(8-14-17-3-6-24-14)10-16(11-21)7-13(22)18-9-16/h3,6,12H,4-5,7-11H2,1-2H3,(H,18,22)(H,19,23)/t16-/m0/s1.
What are the key properties of (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97360026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).