N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 103525237

IUPACN-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)=CCNc1nc(C(C)C)ns1
InChIInChI=1S/C10H17N3S/c1-7(2)5-6-11-10-12-9(8(3)4)13-14-10/h5,8H,6H2,1-4H3,(H,11,12,13)
InChIKeyYMGUAHGTQGRQTG-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.04
Rot. Bonds4

About N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 103525237) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID103525237
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)=CCNc1nc(C(C)C)ns1
InChIInChI=1S/C10H17N3S/c1-7(2)5-6-11-10-12-9(8(3)4)13-14-10/h5,8H,6H2,1-4H3,(H,11,12,13)
InChIKeyYMGUAHGTQGRQTG-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
CID 66005694
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 81065823
1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275792
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
CID 106142084
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
(3-propan-2-yl-1,2,4-thiadiazol-5-yl)carbamic acid
CID 68803275
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79246881
4-methyl-6-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65270163
N-[(4-methoxythian-4-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 172899903
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 103525237) is N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)=CCNc1nc(C(C)C)ns1.
What is the InChIKey of N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YMGUAHGTQGRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)5-6-11-10-12-9(8(3)4)13-14-10/h5,8H,6H2,1-4H3,(H,11,12,13).
What are the key properties of N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103525237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).