(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

C20H32N4O5S — CID 155993059

IUPAC(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
SMILESCN1CCC2(CCCCN(C(=O)c3csc(N)n3)CC[C@H](O)[C@H](O)COC2=O)CC1
InChIInChI=1S/C20H32N4O5S/c1-23-10-6-20(7-11-23)5-2-3-8-24(17(27)14-13-30-19(21)22-14)9-4-15(25)16(26)12-29-18(20)28/h13,15-16,25-26H,2-12H2,1H3,(H2,21,22)/t15-,16+/m0/s1
InChIKeyWAJDYSDLVBHFSC-JKSUJKDBSA-N
MW440.57 g/mol
LogP0.72
Rot. Bonds1

About (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (PubChem CID 155993059) has the molecular formula C20H32N4O5S and a molecular weight of 440.57 g/mol. Its IUPAC name is (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.

Molecular Properties

Compound Name(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
PubChem CID155993059
Molecular FormulaC20H32N4O5S
Molecular Weight440.57 g/mol
Exact Mass440.21
IUPAC Name(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
SMILESCN1CCC2(CCCCN(C(=O)c3csc(N)n3)CC[C@H](O)[C@H](O)COC2=O)CC1
InChIInChI=1S/C20H32N4O5S/c1-23-10-6-20(7-11-23)5-2-3-8-24(17(27)14-13-30-19(21)22-14)9-4-15(25)16(26)12-29-18(20)28/h13,15-16,25-26H,2-12H2,1H3,(H2,21,22)/t15-,16+/m0/s1
InChIKeyWAJDYSDLVBHFSC-JKSUJKDBSA-N
XLogP0.72
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one with MolForge

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Related Compounds

(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993041
(10R,11S)-10,11-dihydroxy-14-(3-imidazol-1-ylpropanoyl)-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993559
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689941
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(6-methoxypyridine-3-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993169
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
(10R,11S)-3-benzyl-14-(4-fluorobenzoyl)-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993116
(10R,11S)-3-benzyl-14-[3-(dimethylamino)propanoyl]-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993125
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778

Frequently Asked Questions

What is the IUPAC name of (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The IUPAC name of (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (CID 155993059) is (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.
What is the SMILES notation for (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The canonical SMILES for (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is CN1CCC2(CCCCN(C(=O)c3csc(N)n3)CC[C@H](O)[C@H](O)COC2=O)CC1.
What is the InChIKey of (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The InChIKey is WAJDYSDLVBHFSC-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H32N4O5S/c1-23-10-6-20(7-11-23)5-2-3-8-24(17(27)14-13-30-19(21)22-14)9-4-15(25)16(26)12-29-18(20)28/h13,15-16,25-26H,2-12H2,1H3,(H2,21,22)/t15-,16+/m0/s1.
What are the key properties of (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one has a molecular weight of 440.57 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is sourced from PubChem (CID 155993059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).