[2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone

C16H19N3OS2 — CID 97369833

IUPAC[2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(CN2CC3(CCN(C(=O)c4cscn4)C3)C2)s1
InChIInChI=1S/C16H19N3OS2/c1-12-2-3-13(22-12)6-18-8-16(9-18)4-5-19(10-16)15(20)14-7-21-11-17-14/h2-3,7,11H,4-6,8-10H2,1H3
InChIKeyVFLWQBIHYFGPHZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.86
Rot. Bonds3

About [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone

[2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97369833) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97369833
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name[2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(CN2CC3(CCN(C(=O)c4cscn4)C3)C2)s1
InChIInChI=1S/C16H19N3OS2/c1-12-2-3-13(22-12)6-18-8-16(9-18)4-5-19(10-16)15(20)14-7-21-11-17-14/h2-3,7,11H,4-6,8-10H2,1H3
InChIKeyVFLWQBIHYFGPHZ-UHFFFAOYSA-N
XLogP2.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-({5-[1-(1,3-Thiazol-4-ylcarbonyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)thiomorpholine
CID 45244037
1,3-Thiazol-4-yl-[8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 97369931
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
[2-(Benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 118738989
Pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 24540104
N-(2-ethoxybenzyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 53037019
Azetidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 16385824
1,3-Thiazol-4-yl-[2-[[4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97392766
[2-[(5-Methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118744179
1,3-Thiazol-4-yl-[8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745455
N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122137385
(2-methyl-1,3-thiazol-4-yl)-[(2S)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 164643260

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone (CID 97369833) is [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccc(CN2CC3(CCN(C(=O)c4cscn4)C3)C2)s1.
What is the InChIKey of [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VFLWQBIHYFGPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-12-2-3-13(22-12)6-18-8-16(9-18)4-5-19(10-16)15(20)14-7-21-11-17-14/h2-3,7,11H,4-6,8-10H2,1H3.
What are the key properties of [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone?
[2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 333.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97369833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).