N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine

C14H21N5S — CID 170575078

IUPACN-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine
SMILESC=C(N)c1nc(C(C)(C)C)sc1CNc1ccn(C)n1
InChIInChI=1S/C14H21N5S/c1-9(15)12-10(20-13(17-12)14(2,3)4)8-16-11-6-7-19(5)18-11/h6-7H,1,8,15H2,2-5H3,(H,16,18)
InChIKeyPVWSMJNKKCSSDY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.72
Rot. Bonds4

About N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine

N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine (PubChem CID 170575078) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine
PubChem CID170575078
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine
SMILESC=C(N)c1nc(C(C)(C)C)sc1CNc1ccn(C)n1
InChIInChI=1S/C14H21N5S/c1-9(15)12-10(20-13(17-12)14(2,3)4)8-16-11-6-7-19(5)18-11/h6-7H,1,8,15H2,2-5H3,(H,16,18)
InChIKeyPVWSMJNKKCSSDY-UHFFFAOYSA-N
XLogP2.72
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-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-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine (CID 170575078) is N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine is C=C(N)c1nc(C(C)(C)C)sc1CNc1ccn(C)n1.
What is the InChIKey of N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine?
The InChIKey is PVWSMJNKKCSSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-9(15)12-10(20-13(17-12)14(2,3)4)8-16-11-6-7-19(5)18-11/h6-7H,1,8,15H2,2-5H3,(H,16,18).
What are the key properties of N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine?
N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine has a molecular weight of 291.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminoethenyl)-2-tert-butyl-1,3-thiazol-5-yl]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 170575078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).