N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C15H22N6O3S — CID 78834949

IUPACN-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1c(N)c(N(C)Cc2csc(NC(C)=O)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N6O3S/c1-4-5-6-21-12(16)11(13(23)19-15(21)24)20(3)7-10-8-25-14(18-10)17-9(2)22/h8H,4-7,16H2,1-3H3,(H,17,18,22)(H,19,23,24)
InChIKeyGHSGRVNWXUHTCD-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.97
Rot. Bonds7

About N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78834949) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78834949
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameN-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1c(N)c(N(C)Cc2csc(NC(C)=O)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N6O3S/c1-4-5-6-21-12(16)11(13(23)19-15(21)24)20(3)7-10-8-25-14(18-10)17-9(2)22/h8H,4-7,16H2,1-3H3,(H,17,18,22)(H,19,23,24)
InChIKeyGHSGRVNWXUHTCD-UHFFFAOYSA-N
XLogP0.97
TPSA126.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78834949) is N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCCCn1c(N)c(N(C)Cc2csc(NC(C)=O)n2)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GHSGRVNWXUHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-4-5-6-21-12(16)11(13(23)19-15(21)24)20(3)7-10-8-25-14(18-10)17-9(2)22/h8H,4-7,16H2,1-3H3,(H,17,18,22)(H,19,23,24).
What are the key properties of N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).