N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine

C12H20N4S — CID 114253742

IUPACN-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cc(C)n(C)n2)=N1
InChIInChI=1S/C12H20N4S/c1-5-12(6-2)8-17-11(14-12)13-10-7-9(3)16(4)15-10/h7H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyCBCBOYMBQVOYFJ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.80
Rot. Bonds3

About N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine

N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 114253742) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID114253742
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cc(C)n(C)n2)=N1
InChIInChI=1S/C12H20N4S/c1-5-12(6-2)8-17-11(14-12)13-10-7-9(3)16(4)15-10/h7H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyCBCBOYMBQVOYFJ-UHFFFAOYSA-N
XLogP2.80
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 114253742) is N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2cc(C)n(C)n2)=N1.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is CBCBOYMBQVOYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-5-12(6-2)8-17-11(14-12)13-10-7-9(3)16(4)15-10/h7H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 114253742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).