(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H27N5O2S — CID 124751903

IUPAC(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)N2CCC3(CC2)C(=O)NCCCN3C)n1
InChIInChI=1S/C17H27N5O2S/c1-12-11-25-16(19-12)20-14(23)13(2)22-9-5-17(6-10-22)15(24)18-7-4-8-21(17)3/h11,13H,4-10H2,1-3H3,(H,18,24)(H,19,20,23)/t13-/m0/s1
InChIKeyHYNBBWFGWHFAHQ-ZDUSSCGKSA-N
MW365.50 g/mol
LogP1.06
Rot. Bonds3

About (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 124751903) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID124751903
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)[C@H](C)N2CCC3(CC2)C(=O)NCCCN3C)n1
InChIInChI=1S/C17H27N5O2S/c1-12-11-25-16(19-12)20-14(23)13(2)22-9-5-17(6-10-22)15(24)18-7-4-8-21(17)3/h11,13H,4-10H2,1-3H3,(H,18,24)(H,19,20,23)/t13-/m0/s1
InChIKeyHYNBBWFGWHFAHQ-ZDUSSCGKSA-N
XLogP1.06
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 124751903) is (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)[C@H](C)N2CCC3(CC2)C(=O)NCCCN3C)n1.
What is the InChIKey of (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is HYNBBWFGWHFAHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-12-11-25-16(19-12)20-14(23)13(2)22-9-5-17(6-10-22)15(24)18-7-4-8-21(17)3/h11,13H,4-10H2,1-3H3,(H,18,24)(H,19,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 124751903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).