1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one

C19H23N5O2S — CID 71447438

IUPAC1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)CC1
InChIInChI=1S/C19H23N5O2S/c1-21-7-9-22(10-8-21)17(25)16-13-20-18(27-16)24-12-11-23(19(24)26)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3
InChIKeySMMYCYDYPSUIKH-UHFFFAOYSA-N
MW385.49 g/mol
LogP1.97
Rot. Bonds4

About 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one

1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 71447438) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID71447438
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)CC1
InChIInChI=1S/C19H23N5O2S/c1-21-7-9-22(10-8-21)17(25)16-13-20-18(27-16)24-12-11-23(19(24)26)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3
InChIKeySMMYCYDYPSUIKH-UHFFFAOYSA-N
XLogP1.97
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 71447438) is 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one is CN1CCN(C(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)CC1.
What is the InChIKey of 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is SMMYCYDYPSUIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-21-7-9-22(10-8-21)17(25)16-13-20-18(27-16)24-12-11-23(19(24)26)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3.
What are the key properties of 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 385.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 71447438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).