5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide

C11H15N5OS2 — CID 80616520

IUPAC5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(CC)c2nccs2)s1
InChIInChI=1S/C11H15N5OS2/c1-3-7(9-13-5-6-18-9)14-8(17)10-15-16-11(19-10)12-4-2/h5-7H,3-4H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyRLUWONNXIWUYDY-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.31
Rot. Bonds6

About 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616520) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616520
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(CC)c2nccs2)s1
InChIInChI=1S/C11H15N5OS2/c1-3-7(9-13-5-6-18-9)14-8(17)10-15-16-11(19-10)12-4-2/h5-7H,3-4H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyRLUWONNXIWUYDY-UHFFFAOYSA-N
XLogP2.31
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
CID 125436740
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
(2R)-3,3-dimethyl-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]butanoic acid
CID 103928082
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615301
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80618700
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616520) is 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC(CC)c2nccs2)s1.
What is the InChIKey of 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RLUWONNXIWUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-7(9-13-5-6-18-9)14-8(17)10-15-16-11(19-10)12-4-2/h5-7H,3-4H2,1-2H3,(H,12,16)(H,14,17).
What are the key properties of 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 297.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).