7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H20N6OS — CID 133277307

IUPAC7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(NC(C)c3nc4ccccc4n3CC)sc2n1
InChIInChI=1S/C18H20N6OS/c1-4-12-10-15(25)24-18(20-12)26-17(22-24)19-11(3)16-21-13-8-6-7-9-14(13)23(16)5-2/h6-11H,4-5H2,1-3H3,(H,19,22)
InChIKeyFXBKBXUNFAAKHL-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.26
Rot. Bonds5

About 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133277307) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133277307
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(NC(C)c3nc4ccccc4n3CC)sc2n1
InChIInChI=1S/C18H20N6OS/c1-4-12-10-15(25)24-18(20-12)26-17(22-24)19-11(3)16-21-13-8-6-7-9-14(13)23(16)5-2/h6-11H,4-5H2,1-3H3,(H,19,22)
InChIKeyFXBKBXUNFAAKHL-UHFFFAOYSA-N
XLogP3.26
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
2-[bis(3-methoxyphenyl)methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356947
7-ethyl-2-(2-phenylsulfanylpropylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133324724
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95234003
5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107647818

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133277307) is 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(NC(C)c3nc4ccccc4n3CC)sc2n1.
What is the InChIKey of 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FXBKBXUNFAAKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-4-12-10-15(25)24-18(20-12)26-17(22-24)19-11(3)16-21-13-8-6-7-9-14(13)23(16)5-2/h6-11H,4-5H2,1-3H3,(H,19,22).
What are the key properties of 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 368.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[1-(1-ethylbenzimidazol-2-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133277307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).