2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride

C14H19ClN4OS — CID 119321233

IUPAC2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride
SMILESCc1csc(Nc2ccc(NC(=O)C(C)(C)N)cc2)n1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-9-8-20-13(16-9)18-11-6-4-10(5-7-11)17-12(19)14(2,3)15;/h4-8H,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeySVCZLAGPLCBTDK-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride

2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride (PubChem CID 119321233) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride
PubChem CID119321233
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride
SMILESCc1csc(Nc2ccc(NC(=O)C(C)(C)N)cc2)n1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-9-8-20-13(16-9)18-11-6-4-10(5-7-11)17-12(19)14(2,3)15;/h4-8H,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeySVCZLAGPLCBTDK-UHFFFAOYSA-N
XLogP3.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride (CID 119321233) is 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride is Cc1csc(Nc2ccc(NC(=O)C(C)(C)N)cc2)n1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride?
The InChIKey is SVCZLAGPLCBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c1-9-8-20-13(16-9)18-11-6-4-10(5-7-11)17-12(19)14(2,3)15;/h4-8H,15H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride?
2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119321233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).