N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide

C25H29N5O4S — CID 2123263

IUPACN-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide
SMILESCCCn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3ccc(NC(C)=O)cc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C25H29N5O4S/c1-4-13-30-22(26)18(24(33)29(3)25(30)34)23-28-19(15-7-5-6-8-15)21(35-23)20(32)16-9-11-17(12-10-16)27-14(2)31/h9-12,15H,4-8,13,26H2,1-3H3,(H,27,31)
InChIKeyOMHGVONHAACROF-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.51
Rot. Bonds7

About N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide

N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide (PubChem CID 2123263) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide
PubChem CID2123263
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC NameN-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide
SMILESCCCn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3ccc(NC(C)=O)cc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C25H29N5O4S/c1-4-13-30-22(26)18(24(33)29(3)25(30)34)23-28-19(15-7-5-6-8-15)21(35-23)20(32)16-9-11-17(12-10-16)27-14(2)31/h9-12,15H,4-8,13,26H2,1-3H3,(H,27,31)
InChIKeyOMHGVONHAACROF-UHFFFAOYSA-N
XLogP3.51
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide (CID 2123263) is N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide is CCCn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3ccc(NC(C)=O)cc3)s2)c(=O)n(C)c1=O.
What is the InChIKey of N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide?
The InChIKey is OMHGVONHAACROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-4-13-30-22(26)18(24(33)29(3)25(30)34)23-28-19(15-7-5-6-8-15)21(35-23)20(32)16-9-11-17(12-10-16)27-14(2)31/h9-12,15H,4-8,13,26H2,1-3H3,(H,27,31).
What are the key properties of N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide?
N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide has a molecular weight of 495.61 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-4-cyclopentyl-1,3-thiazole-5-carbonyl]phenyl]acetamide is sourced from PubChem (CID 2123263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).