4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol

C22H27N5OS — CID 174508220

IUPAC4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol
SMILESCN(C)C1CCN(c2ccc(Nc3nc(N)c(-c4ccc(O)cc4)s3)cc2)CC1
InChIInChI=1S/C22H27N5OS/c1-26(2)17-11-13-27(14-12-17)18-7-5-16(6-8-18)24-22-25-21(23)20(29-22)15-3-9-19(28)10-4-15/h3-10,17,28H,11-14,23H2,1-2H3,(H,24,25)
InChIKeyPWBVCKUXHWKVHE-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.37
Rot. Bonds5

About 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol

4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol (PubChem CID 174508220) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol
PubChem CID174508220
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol
SMILESCN(C)C1CCN(c2ccc(Nc3nc(N)c(-c4ccc(O)cc4)s3)cc2)CC1
InChIInChI=1S/C22H27N5OS/c1-26(2)17-11-13-27(14-12-17)18-7-5-16(6-8-18)24-22-25-21(23)20(29-22)15-3-9-19(28)10-4-15/h3-10,17,28H,11-14,23H2,1-2H3,(H,24,25)
InChIKeyPWBVCKUXHWKVHE-UHFFFAOYSA-N
XLogP4.37
TPSA77.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol 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 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol?
The IUPAC name of 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol (CID 174508220) is 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol is CN(C)C1CCN(c2ccc(Nc3nc(N)c(-c4ccc(O)cc4)s3)cc2)CC1.
What is the InChIKey of 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol?
The InChIKey is PWBVCKUXHWKVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-26(2)17-11-13-27(14-12-17)18-7-5-16(6-8-18)24-22-25-21(23)20(29-22)15-3-9-19(28)10-4-15/h3-10,17,28H,11-14,23H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol?
4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol has a molecular weight of 409.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 174508220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).