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

C14H17Cl2N3OS2 — CID 119309266

IUPAC2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)C(C)(C)N)cc2Cl)n1.Cl
InChIInChI=1S/C14H16ClN3OS2.ClH/c1-8-7-20-13(17-8)21-11-5-4-9(6-10(11)15)18-12(19)14(2,3)16;/h4-7H,16H2,1-3H3,(H,18,19);1H
InChIKeyFXBBAFNMBOFPDB-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.35
Rot. Bonds4

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

2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119309266) has the molecular formula C14H17Cl2N3OS2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride
PubChem CID119309266
Molecular FormulaC14H17Cl2N3OS2
Molecular Weight378.35 g/mol
Exact Mass377.02
IUPAC Name2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)C(C)(C)N)cc2Cl)n1.Cl
InChIInChI=1S/C14H16ClN3OS2.ClH/c1-8-7-20-13(17-8)21-11-5-4-9(6-10(11)15)18-12(19)14(2,3)16;/h4-7H,16H2,1-3H3,(H,18,19);1H
InChIKeyFXBBAFNMBOFPDB-UHFFFAOYSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride with MolForge

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Related Compounds

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methyl 2-chloro-5-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
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(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride (CID 119309266) is 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride is Cc1csc(Sc2ccc(NC(=O)C(C)(C)N)cc2Cl)n1.Cl.
What is the InChIKey of 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is FXBBAFNMBOFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2.ClH/c1-8-7-20-13(17-8)21-11-5-4-9(6-10(11)15)18-12(19)14(2,3)16;/h4-7H,16H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 378.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119309266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).