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

C12H19N5S2 — CID 82427815

IUPACN-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(-c2sc(N(C)C)nc2C)s1
InChIInChI=1S/C12H19N5S2/c1-6-7(2)13-11-16-15-10(19-11)9-8(3)14-12(18-9)17(4)5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyGMFKZMZNIWVPLD-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.25
Rot. Bonds5

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

N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82427815) has the molecular formula C12H19N5S2 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82427815
Molecular FormulaC12H19N5S2
Molecular Weight297.45 g/mol
Exact Mass297.11
IUPAC NameN-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCC(C)Nc1nnc(-c2sc(N(C)C)nc2C)s1
InChIInChI=1S/C12H19N5S2/c1-6-7(2)13-11-16-15-10(19-11)9-8(3)14-12(18-9)17(4)5/h7H,6H2,1-5H3,(H,13,16)
InChIKeyGMFKZMZNIWVPLD-UHFFFAOYSA-N
XLogP3.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82427815) is N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CCC(C)Nc1nnc(-c2sc(N(C)C)nc2C)s1.
What is the InChIKey of N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GMFKZMZNIWVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S2/c1-6-7(2)13-11-16-15-10(19-11)9-8(3)14-12(18-9)17(4)5/h7H,6H2,1-5H3,(H,13,16).
What are the key properties of N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).