N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C12H15BrN4OS2 — CID 106050447

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCCc2ccc(Br)s2)s1
InChIInChI=1S/C12H15BrN4OS2/c1-2-6-15-12-17-16-11(20-12)10(18)14-7-5-8-3-4-9(13)19-8/h3-4H,2,5-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyLNIKVEZQMZNTPE-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106050447) has the molecular formula C12H15BrN4OS2 and a molecular weight of 375.32 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106050447
Molecular FormulaC12H15BrN4OS2
Molecular Weight375.32 g/mol
Exact Mass373.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCCc2ccc(Br)s2)s1
InChIInChI=1S/C12H15BrN4OS2/c1-2-6-15-12-17-16-11(20-12)10(18)14-7-5-8-3-4-9(13)19-8/h3-4H,2,5-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyLNIKVEZQMZNTPE-UHFFFAOYSA-N
XLogP3.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615441
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
N-[3-(methanesulfonamido)propyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342390
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
N-(1,2-oxazol-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616815
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 106050447) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NCCc2ccc(Br)s2)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LNIKVEZQMZNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS2/c1-2-6-15-12-17-16-11(20-12)10(18)14-7-5-8-3-4-9(13)19-8/h3-4H,2,5-7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106050447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).