N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 130643850

IUPACN-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H19N3S/c1-6-7(2)11-9-13-12-8(14-9)10(3,4)5/h7H,6H2,1-5H3,(H,11,13)
InChIKeyJMTMJDDXWVUNHE-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.05
Rot. Bonds3

About N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine

N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine (PubChem CID 130643850) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine
PubChem CID130643850
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H19N3S/c1-6-7(2)11-9-13-12-8(14-9)10(3,4)5/h7H,6H2,1-5H3,(H,11,13)
InChIKeyJMTMJDDXWVUNHE-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]butan-1-ol
CID 133434609
5-bromo-N-butan-2-yl-1,3,4-thiadiazol-2-amine
CID 64623041
5-tert-butyl-N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-1,3,4-thiadiazol-2-amine
CID 133480775
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]pent-4-en-1-ol
CID 136530387
N-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448589
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120613
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoic acid
CID 114449379
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453168

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine (CID 130643850) is N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine is CCC(C)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JMTMJDDXWVUNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-6-7(2)11-9-13-12-8(14-9)10(3,4)5/h7H,6H2,1-5H3,(H,11,13).
What are the key properties of N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine?
N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-tert-butyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130643850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).