2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one

C18H18N6OS — CID 137072838

IUPAC2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCNc2ccnc(C=C3CNCS3)n2)nc2ccccc12
InChIInChI=1S/C18H18N6OS/c25-18-13-3-1-2-4-14(13)22-16(24-18)6-8-20-15-5-7-21-17(23-15)9-12-10-19-11-26-12/h1-5,7,9,19H,6,8,10-11H2,(H,20,21,23)(H,22,24,25)
InChIKeyLNIVHJHWYFCWFT-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one

2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 137072838) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID137072838
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCNc2ccnc(C=C3CNCS3)n2)nc2ccccc12
InChIInChI=1S/C18H18N6OS/c25-18-13-3-1-2-4-14(13)22-16(24-18)6-8-20-15-5-7-21-17(23-15)9-12-10-19-11-26-12/h1-5,7,9,19H,6,8,10-11H2,(H,20,21,23)(H,22,24,25)
InChIKeyLNIVHJHWYFCWFT-UHFFFAOYSA-N
XLogP2.00
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

(5Z)-5-[[4-[2-(4-oxo-3H-quinazolin-2-yl)ethylamino]-1,3,5-triazin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 136999977
formic acid;2-[2-[(6-propan-2-ylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 154916800
2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137314025
3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 135747657
(5Z)-5-[[6-[benzyl(methyl)amino]-2-[2-(4-oxo-3H-quinazolin-2-yl)ethylamino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 136999988
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 136767933
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 137196556
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one (CID 137072838) is 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCNc2ccnc(C=C3CNCS3)n2)nc2ccccc12.
What is the InChIKey of 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is LNIVHJHWYFCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-18-13-3-1-2-4-14(13)22-16(24-18)6-8-20-15-5-7-21-17(23-15)9-12-10-19-11-26-12/h1-5,7,9,19H,6,8,10-11H2,(H,20,21,23)(H,22,24,25).
What are the key properties of 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 366.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1,3-thiazolidin-5-ylidenemethyl)pyrimidin-4-yl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137072838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).