N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine

C8H15N3S — CID 142857318

IUPACN-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCN(C)c1nnc(C)s1
InChIInChI=1S/C8H15N3S/c1-4-5-6-11(3)8-10-9-7(2)12-8/h4-6H2,1-3H3
InChIKeyBMTRVJHIXUEZHH-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.08
Rot. Bonds4

About N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine

N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 142857318) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID142857318
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCN(C)c1nnc(C)s1
InChIInChI=1S/C8H15N3S/c1-4-5-6-11(3)8-10-9-7(2)12-8/h4-6H2,1-3H3
InChIKeyBMTRVJHIXUEZHH-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 86769314
3-[(2-Cyanoethyl)(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 652556
1,3,4-Thiadiazole, 2-(dimethylamino)-5-methyl-, hydrochloride
CID 3047401
N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 75442120
N,N,5-trimethyl-1,3,4-thiadiazol-2-amine
CID 3047402
2-Ethyl-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 154700595
2-(3-(Fluoromethyl)azetidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121184977
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269215
2-(3-Fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 126989358
N-cyclobutyl-N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133504908
2-(3-Fluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 171701626
4-Fluoro-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 171704890

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 142857318) is N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine is CCCCN(C)c1nnc(C)s1.
What is the InChIKey of N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BMTRVJHIXUEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-5-6-11(3)8-10-9-7(2)12-8/h4-6H2,1-3H3.
What are the key properties of N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 142857318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).