N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide

C10H11N5O2S2 — CID 29289643

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C10H11N5O2S2/c1-2-6-8(19-15-14-6)9(17)13-10-12-5(4-18-10)3-7(11)16/h4H,2-3H2,1H3,(H2,11,16)(H,12,13,17)
InChIKeyURBDPQUHMNHUJT-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.84
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 29289643) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
PubChem CID29289643
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C10H11N5O2S2/c1-2-6-8(19-15-14-6)9(17)13-10-12-5(4-18-10)3-7(11)16/h4H,2-3H2,1H3,(H2,11,16)(H,12,13,17)
InChIKeyURBDPQUHMNHUJT-UHFFFAOYSA-N
XLogP0.84
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide (CID 29289643) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is URBDPQUHMNHUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-2-6-8(19-15-14-6)9(17)13-10-12-5(4-18-10)3-7(11)16/h4H,2-3H2,1H3,(H2,11,16)(H,12,13,17).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 297.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 29289643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).