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

C16H24N6O3S — CID 78834983

IUPACN-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1c(N)c(N(CC)Cc2csc(NC(C)=O)n2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N6O3S/c1-4-6-7-22-13(17)12(14(24)20-16(22)25)21(5-2)8-11-9-26-15(19-11)18-10(3)23/h9H,4-8,17H2,1-3H3,(H,18,19,23)(H,20,24,25)
InChIKeyWOHHSFHBHSZUOK-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.36
Rot. Bonds8

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

N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78834983) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78834983
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC NameN-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCCCn1c(N)c(N(CC)Cc2csc(NC(C)=O)n2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N6O3S/c1-4-6-7-22-13(17)12(14(24)20-16(22)25)21(5-2)8-11-9-26-15(19-11)18-10(3)23/h9H,4-8,17H2,1-3H3,(H,18,19,23)(H,20,24,25)
InChIKeyWOHHSFHBHSZUOK-UHFFFAOYSA-N
XLogP1.36
TPSA126.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.36
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)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78834983) is N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCCCn1c(N)c(N(CC)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)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WOHHSFHBHSZUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-6-7-22-13(17)12(14(24)20-16(22)25)21(5-2)8-11-9-26-15(19-11)18-10(3)23/h9H,4-8,17H2,1-3H3,(H,18,19,23)(H,20,24,25).
What are the key properties of N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.36, 8 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)-ethylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78834983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).