N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C20H19N5O2S — CID 35859833

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H19N5O2S/c26-18(5-8-25-14-23-19-17(20(25)27)6-10-28-19)22-11-15-1-3-16(4-2-15)12-24-9-7-21-13-24/h1-4,6-7,9-10,13-14H,5,8,11-12H2,(H,22,26)
InChIKeyRWGHJFHSKBXVGD-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.41
Rot. Bonds7

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 35859833) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID35859833
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C20H19N5O2S/c26-18(5-8-25-14-23-19-17(20(25)27)6-10-28-19)22-11-15-1-3-16(4-2-15)12-24-9-7-21-13-24/h1-4,6-7,9-10,13-14H,5,8,11-12H2,(H,22,26)
InChIKeyRWGHJFHSKBXVGD-UHFFFAOYSA-N
XLogP2.41
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 26014591
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 46474109
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 51314616
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55634142
2-[2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242258
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
N-[(1-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111446065
4-methyl-N-[3-[[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]methyl]phenyl]benzamide
CID 55899658
N-[2-(3-fluorophenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25487216

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 35859833) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is RWGHJFHSKBXVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-18(5-8-25-14-23-19-17(20(25)27)6-10-28-19)22-11-15-1-3-16(4-2-15)12-24-9-7-21-13-24/h1-4,6-7,9-10,13-14H,5,8,11-12H2,(H,22,26).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 393.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 35859833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).