5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one

C24H23N5OS — CID 89427193

IUPAC5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(N)cc3C)cs2)C(c2cc3ccccc3n2C)NC(=O)N1
InChIInChI=1S/C24H23N5OS/c1-13-10-16(25)8-9-17(13)18-12-31-23(27-18)21-14(2)26-24(30)28-22(21)20-11-15-6-4-5-7-19(15)29(20)3/h4-12,22H,25H2,1-3H3,(H2,26,28,30)
InChIKeyRMHUKMOCIJRRPU-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.98
Rot. Bonds3

About 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one

5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 89427193) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID89427193
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(c2nc(-c3ccc(N)cc3C)cs2)C(c2cc3ccccc3n2C)NC(=O)N1
InChIInChI=1S/C24H23N5OS/c1-13-10-16(25)8-9-17(13)18-12-31-23(27-18)21-14(2)26-24(30)28-22(21)20-11-15-6-4-5-7-19(15)29(20)3/h4-12,22H,25H2,1-3H3,(H2,26,28,30)
InChIKeyRMHUKMOCIJRRPU-UHFFFAOYSA-N
XLogP4.98
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one (CID 89427193) is 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(c2nc(-c3ccc(N)cc3C)cs2)C(c2cc3ccccc3n2C)NC(=O)N1.
What is the InChIKey of 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is RMHUKMOCIJRRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-13-10-16(25)8-9-17(13)18-12-31-23(27-18)21-14(2)26-24(30)28-22(21)20-11-15-6-4-5-7-19(15)29(20)3/h4-12,22H,25H2,1-3H3,(H2,26,28,30).
What are the key properties of 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one?
5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 429.55 g/mol, XLogP of 4.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-amino-2-methylphenyl)-1,3-thiazol-2-yl]-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 89427193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).