1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one

C18H21ClN4OS — CID 142659766

IUPAC1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1nc(CN2CN(c3ccccc3Cl)C3(CCNCC3)C2=O)cs1
InChIInChI=1S/C18H21ClN4OS/c1-13-21-14(11-25-13)10-22-12-23(16-5-3-2-4-15(16)19)18(17(22)24)6-8-20-9-7-18/h2-5,11,20H,6-10,12H2,1H3
InChIKeyAOBXWEZDQXXIGW-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one

1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 142659766) has the molecular formula C18H21ClN4OS and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID142659766
Molecular FormulaC18H21ClN4OS
Molecular Weight376.91 g/mol
Exact Mass376.11
IUPAC Name1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1nc(CN2CN(c3ccccc3Cl)C3(CCNCC3)C2=O)cs1
InChIInChI=1S/C18H21ClN4OS/c1-13-21-14(11-25-13)10-22-12-23(16-5-3-2-4-15(16)19)18(17(22)24)6-8-20-9-7-18/h2-5,11,20H,6-10,12H2,1H3
InChIKeyAOBXWEZDQXXIGW-UHFFFAOYSA-N
XLogP3.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-4-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)-1,3-thiazole
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N-[4-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]phenyl]methanesulfonamide;hydrochloride
CID 131731301
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CID 115610775
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1'-(pyridin-4-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155868517
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 142659766) is 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one is Cc1nc(CN2CN(c3ccccc3Cl)C3(CCNCC3)C2=O)cs1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is AOBXWEZDQXXIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4OS/c1-13-21-14(11-25-13)10-22-12-23(16-5-3-2-4-15(16)19)18(17(22)24)6-8-20-9-7-18/h2-5,11,20H,6-10,12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 376.91 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 142659766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).