N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

C11H14BrN3S2 — CID 107966972

IUPACN-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2csc(Br)c2)s1
InChIInChI=1S/C11H14BrN3S2/c1-3-4-13-7(2)10-14-15-11(17-10)8-5-9(12)16-6-8/h5-7,13H,3-4H2,1-2H3
InChIKeyAPYODYCRNUGWTB-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.09
Rot. Bonds5

About N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 107966972) has the molecular formula C11H14BrN3S2 and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
PubChem CID107966972
Molecular FormulaC11H14BrN3S2
Molecular Weight332.29 g/mol
Exact Mass330.98
IUPAC NameN-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(-c2csc(Br)c2)s1
InChIInChI=1S/C11H14BrN3S2/c1-3-4-13-7(2)10-14-15-11(17-10)8-5-9(12)16-6-8/h5-7,13H,3-4H2,1-2H3
InChIKeyAPYODYCRNUGWTB-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81488183
N-[1-[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81324177
3-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107966932
N-[1-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 82879484
N-[1-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 114021897
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107954758
1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 107966948
1-[5-(3-bromo-5-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107942021
N-[1-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 82818389
N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 107965633
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959489
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 167249314

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (CID 107966972) is N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(-c2csc(Br)c2)s1.
What is the InChIKey of N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is APYODYCRNUGWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S2/c1-3-4-13-7(2)10-14-15-11(17-10)8-5-9(12)16-6-8/h5-7,13H,3-4H2,1-2H3.
What are the key properties of N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107966972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).