N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

C25H25N5O4S — CID 17475995

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCN(C(=O)c1cccc(OCc2cscn2)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N5O4S/c1-2-11-29(24(32)18-9-6-10-20(12-18)34-14-19-15-35-16-27-19)21-22(26)30(25(33)28-23(21)31)13-17-7-4-3-5-8-17/h3-10,12,15-16H,2,11,13-14,26H2,1H3,(H,28,31,33)
InChIKeyMTTXTUZSEKKCFE-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.26
Rot. Bonds9

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 17475995) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID17475995
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCN(C(=O)c1cccc(OCc2cscn2)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H25N5O4S/c1-2-11-29(24(32)18-9-6-10-20(12-18)34-14-19-15-35-16-27-19)21-22(26)30(25(33)28-23(21)31)13-17-7-4-3-5-8-17/h3-10,12,15-16H,2,11,13-14,26H2,1H3,(H,28,31,33)
InChIKeyMTTXTUZSEKKCFE-UHFFFAOYSA-N
XLogP3.26
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 8801143
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CID 8800330
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 17492792
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenoxybenzamide
CID 4825518
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-1,3-benzothiazole-6-carboxamide
CID 16548964
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
CID 8801016
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-4-(trifluoromethyl)benzamide
CID 4790575
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-propylbenzamide
CID 16549449
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,5-dimethoxybenzamide
CID 2644398
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenoxybenzamide
CID 26175958
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-nitrobenzamide
CID 43000040

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 17475995) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is CCCN(C(=O)c1cccc(OCc2cscn2)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is MTTXTUZSEKKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-2-11-29(24(32)18-9-6-10-20(12-18)34-14-19-15-35-16-27-19)21-22(26)30(25(33)28-23(21)31)13-17-7-4-3-5-8-17/h3-10,12,15-16H,2,11,13-14,26H2,1H3,(H,28,31,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 491.57 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 17475995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).