(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H29N3OS — CID 97133364

IUPAC(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cs1
InChIInChI=1S/C19H29N3OS/c1-15-20-16(13-24-15)12-21-11-9-19(14-21)8-5-10-22(18(19)23)17-6-3-2-4-7-17/h13,17H,2-12,14H2,1H3/t19-/m0/s1
InChIKeyJVTCYPCKGQXCHD-IBGZPJMESA-N
MW347.53 g/mol
LogP3.60
Rot. Bonds3

About (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97133364) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97133364
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cs1
InChIInChI=1S/C19H29N3OS/c1-15-20-16(13-24-15)12-21-11-9-19(14-21)8-5-10-22(18(19)23)17-6-3-2-4-7-17/h13,17H,2-12,14H2,1H3/t19-/m0/s1
InChIKeyJVTCYPCKGQXCHD-IBGZPJMESA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650844
(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 97489971
(5R)-2-[(5-acetylthiophen-3-yl)methyl]-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97134259
(5S)-7-cyclohexyl-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122565
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115757
(5R)-7-cyclohexyl-2-[[2-(ethylamino)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97156512
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490159
9-ethylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 134075085
7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482586
7-(oxan-4-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72855207
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938595

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97133364) is (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cs1.
What is the InChIKey of (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JVTCYPCKGQXCHD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3OS/c1-15-20-16(13-24-15)12-21-11-9-19(14-21)8-5-10-22(18(19)23)17-6-3-2-4-7-17/h13,17H,2-12,14H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 347.53 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97133364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).