N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane

C20H24N6O3S — CID 142257549

IUPACN-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane
SMILESCC.O=C(NCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)c1csnn1
InChIInChI=1S/C18H18N6O3S.C2H6/c25-16-9-15(20-13-5-4-11-2-1-3-12(11)8-13)21-18(27)24(16)7-6-19-17(26)14-10-28-23-22-14;1-2/h4-5,8-10,20H,1-3,6-7H2,(H,19,26)(H,21,27);1-2H3
InChIKeyAPKJYYRJMMGWKB-UHFFFAOYSA-N
MW428.52 g/mol
LogP2.08
Rot. Bonds6

About N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane

N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane (PubChem CID 142257549) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane
PubChem CID142257549
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane
SMILESCC.O=C(NCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)c1csnn1
InChIInChI=1S/C18H18N6O3S.C2H6/c25-16-9-15(20-13-5-4-11-2-1-3-12(11)8-13)21-18(27)24(16)7-6-19-17(26)14-10-28-23-22-14;1-2/h4-5,8-10,20H,1-3,6-7H2,(H,19,26)(H,21,27);1-2H3
InChIKeyAPKJYYRJMMGWKB-UHFFFAOYSA-N
XLogP2.08
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 58656370
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]-1H-pyrimidine-2,4-dione
CID 142197084
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[5-oxo-5-(4-phenylpiperazin-1-yl)pentyl]-1H-pyrimidine-2,4-dione
CID 142197057
2-[4-[4-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoyl]piperazin-1-yl]acetaldehyde
CID 142197032
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 58638767
N-(2-piperazin-1-ylethyl)thiadiazole-4-carboxamide
CID 65216444
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
CID 7080834
6-(3-ethyl-4-methylanilino)-3-(4-thiomorpholin-4-ylbutyl)-1H-pyrimidine-2,4-dione
CID 11025824
N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43663884
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione
CID 142276459
6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane
CID 142060059

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane?
The IUPAC name of N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane (CID 142257549) is N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane.
What is the SMILES notation for N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane?
The canonical SMILES for N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane is CC.O=C(NCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)c1csnn1.
What is the InChIKey of N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane?
The InChIKey is APKJYYRJMMGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S.C2H6/c25-16-9-15(20-13-5-4-11-2-1-3-12(11)8-13)21-18(27)24(16)7-6-19-17(26)14-10-28-23-22-14;1-2/h4-5,8-10,20H,1-3,6-7H2,(H,19,26)(H,21,27);1-2H3.
What are the key properties of N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane?
N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane has a molecular weight of 428.52 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane is sourced from PubChem (CID 142257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).