1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one

C14H21N3O2S — CID 47073504

IUPAC1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
SMILESCc1ccsc1CN(CC(=O)N1CCNC1=O)C(C)C
InChIInChI=1S/C14H21N3O2S/c1-10(2)16(8-12-11(3)4-7-20-12)9-13(18)17-6-5-15-14(17)19/h4,7,10H,5-6,8-9H2,1-3H3,(H,15,19)
InChIKeyCXIMFVJQOGCKHT-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one

1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one (PubChem CID 47073504) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
PubChem CID47073504
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one
SMILESCc1ccsc1CN(CC(=O)N1CCNC1=O)C(C)C
InChIInChI=1S/C14H21N3O2S/c1-10(2)16(8-12-11(3)4-7-20-12)9-13(18)17-6-5-15-14(17)19/h4,7,10H,5-6,8-9H2,1-3H3,(H,15,19)
InChIKeyCXIMFVJQOGCKHT-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one (CID 47073504) is 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one is Cc1ccsc1CN(CC(=O)N1CCNC1=O)C(C)C.
What is the InChIKey of 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
The InChIKey is CXIMFVJQOGCKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(2)16(8-12-11(3)4-7-20-12)9-13(18)17-6-5-15-14(17)19/h4,7,10H,5-6,8-9H2,1-3H3,(H,15,19).
What are the key properties of 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one?
1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one has a molecular weight of 295.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 47073504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).