(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C16H20N4OS2 — CID 97374168

IUPAC(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2C[C@@]3(CCN(Cc4nccs4)C3)CC2=O)cs1
InChIInChI=1S/C16H20N4OS2/c1-12-18-13(9-23-12)7-20-11-16(6-15(20)21)2-4-19(10-16)8-14-17-3-5-22-14/h3,5,9H,2,4,6-8,10-11H2,1H3/t16-/m0/s1
InChIKeyYOEJAZRCFHFTFJ-INIZCTEOSA-N
MW348.50 g/mol
LogP2.53
Rot. Bonds4

About (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374168) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374168
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2C[C@@]3(CCN(Cc4nccs4)C3)CC2=O)cs1
InChIInChI=1S/C16H20N4OS2/c1-12-18-13(9-23-12)7-20-11-16(6-15(20)21)2-4-19(10-16)8-14-17-3-5-22-14/h3,5,9H,2,4,6-8,10-11H2,1H3/t16-/m0/s1
InChIKeyYOEJAZRCFHFTFJ-INIZCTEOSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one with MolForge

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Related Compounds

1,3-Thiazol-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 97369934
1,3-Thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97385376
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739588
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155836820
2,7-Bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155847202
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374169
(5S)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374174
(5R)-2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374175
(3aR,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379313
1-Methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398737
(3aS,6aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97960080
N-methyl-3-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-oxoethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide;trihydrochloride
CID 120008537

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374168) is (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2C[C@@]3(CCN(Cc4nccs4)C3)CC2=O)cs1.
What is the InChIKey of (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is YOEJAZRCFHFTFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-12-18-13(9-23-12)7-20-11-16(6-15(20)21)2-4-19(10-16)8-14-17-3-5-22-14/h3,5,9H,2,4,6-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 348.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).