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

C12H23N3S — CID 114877382

IUPACN-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
SMILESCCC(C)Cc1nnc(CCNC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-5-10(4)8-12-15-14-11(16-12)6-7-13-9(2)3/h9-10,13H,5-8H2,1-4H3
InChIKeyFWZRQUNZMRWSSS-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.67
Rot. Bonds7

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

N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine (PubChem CID 114877382) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
PubChem CID114877382
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
SMILESCCC(C)Cc1nnc(CCNC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-5-10(4)8-12-15-14-11(16-12)6-7-13-9(2)3/h9-10,13H,5-8H2,1-4H3
InChIKeyFWZRQUNZMRWSSS-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 114754233
2-(3-chloropropyl)-5-(2-methylbutyl)-1,3,4-thiadiazole
CID 114877322
N-[2-[5-(3,3-dimethylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 114212947
N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877355
2-methoxy-N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877363
2,5-bis(2-ethylbutyl)-1,3,4-thiadiazole
CID 123339641
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 79996871
N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 107942038
3-[5-[(3-ethoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 103167275
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
3,5-dimethyl-N-propan-2-ylheptan-1-amine
CID 81018940
N-[2-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 104615846

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine (CID 114877382) is N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine is CCC(C)Cc1nnc(CCNC(C)C)s1.
What is the InChIKey of N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is FWZRQUNZMRWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-10(4)8-12-15-14-11(16-12)6-7-13-9(2)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 114877382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).