10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C17H28N4O2S — CID 72866132

IUPAC10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ncsc1CN1CCN(C)C2(CCC(=O)N(CCO)CC2)C1
InChIInChI=1S/C17H28N4O2S/c1-14-15(24-13-18-14)11-20-8-7-19(2)17(12-20)4-3-16(23)21(6-5-17)9-10-22/h13,22H,3-12H2,1-2H3
InChIKeyUZZOJDFOHGYKTR-UHFFFAOYSA-N
MW352.50 g/mol
LogP0.94
Rot. Bonds4

About 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72866132) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72866132
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1ncsc1CN1CCN(C)C2(CCC(=O)N(CCO)CC2)C1
InChIInChI=1S/C17H28N4O2S/c1-14-15(24-13-18-14)11-20-8-7-19(2)17(12-20)4-3-16(23)21(6-5-17)9-10-22/h13,22H,3-12H2,1-2H3
InChIKeyUZZOJDFOHGYKTR-UHFFFAOYSA-N
XLogP0.94
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845994
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[(E)-3-phenylprop-2-enyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97143656
(6R)-10-ethyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97194524
(5R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95724662
10-(2-methoxyethyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72852906
4-(6-cyclopropylpyrimidin-4-yl)-10-(2-hydroxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72885348
10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70742987
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98805101
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97142214
(6S)-10-(2-hydroxyethyl)-1-methyl-4-(thiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127731
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97131703

Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72866132) is 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1ncsc1CN1CCN(C)C2(CCC(=O)N(CCO)CC2)C1.
What is the InChIKey of 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is UZZOJDFOHGYKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-14-15(24-13-18-14)11-20-8-7-19(2)17(12-20)4-3-16(23)21(6-5-17)9-10-22/h13,22H,3-12H2,1-2H3.
What are the key properties of 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 352.50 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxyethyl)-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72866132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).