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

C11H16N4S2 — CID 82426550

IUPACN-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(CC(C)C)nc2C)s1
InChIInChI=1S/C11H16N4S2/c1-6(2)5-8-13-7(3)9(16-8)10-14-15-11(12-4)17-10/h6H,5H2,1-4H3,(H,12,15)
InChIKeyKFEUTZBTCVHVSU-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.21
Rot. Bonds4

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

N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82426550) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82426550
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC NameN-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2sc(CC(C)C)nc2C)s1
InChIInChI=1S/C11H16N4S2/c1-6(2)5-8-13-7(3)9(16-8)10-14-15-11(12-4)17-10/h6H,5H2,1-4H3,(H,12,15)
InChIKeyKFEUTZBTCVHVSU-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
N-(2-methylpropyl)-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425775
5-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82427390
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
N-ethyl-5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425679
5-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82426648
N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82425681
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 116885305
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436177

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82426550) is N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2sc(CC(C)C)nc2C)s1.
What is the InChIKey of N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KFEUTZBTCVHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-6(2)5-8-13-7(3)9(16-8)10-14-15-11(12-4)17-10/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82426550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).