N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine

C11H16N4S2 — CID 65267638

IUPACN-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nc(Cc2nsc(NCC(C)C)n2)cs1
InChIInChI=1S/C11H16N4S2/c1-7(2)5-12-11-14-10(15-17-11)4-9-6-16-8(3)13-9/h6-7H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyZMLKNXYPCNRTPD-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.96
Rot. Bonds5

About N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65267638) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65267638
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC NameN-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nc(Cc2nsc(NCC(C)C)n2)cs1
InChIInChI=1S/C11H16N4S2/c1-7(2)5-12-11-14-10(15-17-11)4-9-6-16-8(3)13-9/h6-7H,4-5H2,1-3H3,(H,12,14,15)
InChIKeyZMLKNXYPCNRTPD-UHFFFAOYSA-N
XLogP2.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65267638) is N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nc(Cc2nsc(NCC(C)C)n2)cs1.
What is the InChIKey of N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZMLKNXYPCNRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7(2)5-12-11-14-10(15-17-11)4-9-6-16-8(3)13-9/h6-7H,4-5H2,1-3H3,(H,12,14,15).
What are the key properties of N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 268.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).