(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C16H24N4O2S — CID 97286170

IUPAC(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nc(C)c(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)s1
InChIInChI=1S/C16H24N4O2S/c1-11-14(23-12(2)18-11)15(22)20-9-8-19(3)16(10-20)5-4-13(21)17-7-6-16/h4-10H2,1-3H3,(H,17,21)/t16-/m0/s1
InChIKeyIQAPFPPPQQMQQP-INIZCTEOSA-N
MW336.46 g/mol
LogP1.19
Rot. Bonds1

About (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97286170) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97286170
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1nc(C)c(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)s1
InChIInChI=1S/C16H24N4O2S/c1-11-14(23-12(2)18-11)15(22)20-9-8-19(3)16(10-20)5-4-13(21)17-7-6-16/h4-10H2,1-3H3,(H,17,21)/t16-/m0/s1
InChIKeyIQAPFPPPQQMQQP-INIZCTEOSA-N
XLogP1.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136481
1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72897327
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 155492369
4-(3-fluoro-4-methoxybenzoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72873562
(6R)-4-(3,4-dihydro-2H-chromene-6-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97119506
(6S)-1-methyl-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97133610
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72879992
1-methyl-4-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72888404
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
(6R)-4-(1,3-benzothiazol-2-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789026

Frequently Asked Questions

What is the IUPAC name of (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97286170) is (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1nc(C)c(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)s1.
What is the InChIKey of (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is IQAPFPPPQQMQQP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11-14(23-12(2)18-11)15(22)20-9-8-19(3)16(10-20)5-4-13(21)17-7-6-16/h4-10H2,1-3H3,(H,17,21)/t16-/m0/s1.
What are the key properties of (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 336.46 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97286170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).