N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine

C14H18N6S — CID 166277305

IUPACN-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCCn1cc(Nc2nc(-c3nccn3C(C)C)cs2)cn1
InChIInChI=1S/C14H18N6S/c1-4-19-8-11(7-16-19)17-14-18-12(9-21-14)13-15-5-6-20(13)10(2)3/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeySJXBWBDDBOKQBI-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.55
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine

N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 166277305) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID166277305
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCCn1cc(Nc2nc(-c3nccn3C(C)C)cs2)cn1
InChIInChI=1S/C14H18N6S/c1-4-19-8-11(7-16-19)17-14-18-12(9-21-14)13-15-5-6-20(13)10(2)3/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeySJXBWBDDBOKQBI-UHFFFAOYSA-N
XLogP3.55
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-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-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine (CID 166277305) is N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine is CCn1cc(Nc2nc(-c3nccn3C(C)C)cs2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is SJXBWBDDBOKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-4-19-8-11(7-16-19)17-14-18-12(9-21-14)13-15-5-6-20(13)10(2)3/h5-10H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine?
N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 302.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-(1-propan-2-ylimidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166277305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).