2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C21H24ClN5O3S2 — CID 121445784

IUPAC2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H24ClN5O3S2/c1-12-18(31-20(25-12)26-17(28)10-23)13-9-16(19(22)24-11-13)27-32(29,30)15-7-5-14(6-8-15)21(2,3)4/h5-9,11,27H,10,23H2,1-4H3,(H,25,26,28)
InChIKeyYCVQOWKBUVDTOG-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.16
Rot. Bonds6

About 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 121445784) has the molecular formula C21H24ClN5O3S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID121445784
Molecular FormulaC21H24ClN5O3S2
Molecular Weight494.04 g/mol
Exact Mass493.10
IUPAC Name2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H24ClN5O3S2/c1-12-18(31-20(25-12)26-17(28)10-23)13-9-16(19(22)24-11-13)27-32(29,30)15-7-5-14(6-8-15)21(2,3)4/h5-9,11,27H,10,23H2,1-4H3,(H,25,26,28)
InChIKeyYCVQOWKBUVDTOG-UHFFFAOYSA-N
XLogP4.16
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide 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 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 121445784) is 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is YCVQOWKBUVDTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3S2/c1-12-18(31-20(25-12)26-17(28)10-23)13-9-16(19(22)24-11-13)27-32(29,30)15-7-5-14(6-8-15)21(2,3)4/h5-9,11,27H,10,23H2,1-4H3,(H,25,26,28).
What are the key properties of 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 494.04 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[5-[(4-tert-butylphenyl)sulfonylamino]-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 121445784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).