[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone

C19H25N3O2S — CID 97370681

IUPAC[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)o1
InChIInChI=1S/C19H25N3O2S/c1-15-2-3-16(24-15)12-21-8-4-19(5-9-21)6-10-22(11-7-19)18(23)17-13-25-14-20-17/h2-3,13-14H,4-12H2,1H3
InChIKeyPCVRCOHXOKJAHZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.56
Rot. Bonds3

About [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone

[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97370681) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97370681
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)o1
InChIInChI=1S/C19H25N3O2S/c1-15-2-3-16(24-15)12-21-8-4-19(5-9-21)6-10-22(11-7-19)18(23)17-13-25-14-20-17/h2-3,13-14H,4-12H2,1H3
InChIKeyPCVRCOHXOKJAHZ-UHFFFAOYSA-N
XLogP3.56
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 134070855
1,3-thiazol-4-yl-[9-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155849345
[9-[(1-methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743687
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97369948
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-(1,3-thiazol-4-yl)methanone
CID 134698395
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
4-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carbothioamide
CID 107161029
N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97420717
[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134
[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131661553
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944

Frequently Asked Questions

What is the IUPAC name of [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone (CID 97370681) is [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)o1.
What is the InChIKey of [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PCVRCOHXOKJAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-2-3-16(24-15)12-21-8-4-19(5-9-21)6-10-22(11-7-19)18(23)17-13-25-14-20-17/h2-3,13-14H,4-12H2,1H3.
What are the key properties of [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone?
[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97370681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).