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

C16H22ClN3OS2 — CID 120561971

IUPAC4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)CCC(C)N)c(C)c2)n1.Cl
InChIInChI=1S/C16H21N3OS2.ClH/c1-10-8-13(22-16-18-12(3)9-21-16)5-6-14(10)19-15(20)7-4-11(2)17;/h5-6,8-9,11H,4,7,17H2,1-3H3,(H,19,20);1H
InChIKeyLUPNUEQSGIIYQJ-UHFFFAOYSA-N
MW371.96 g/mol
LogP4.40
Rot. Bonds6

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

4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride (PubChem CID 120561971) has the molecular formula C16H22ClN3OS2 and a molecular weight of 371.96 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
PubChem CID120561971
Molecular FormulaC16H22ClN3OS2
Molecular Weight371.96 g/mol
Exact Mass371.09
IUPAC Name4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
SMILESCc1csc(Sc2ccc(NC(=O)CCC(C)N)c(C)c2)n1.Cl
InChIInChI=1S/C16H21N3OS2.ClH/c1-10-8-13(22-16-18-12(3)9-21-16)5-6-14(10)19-15(20)7-4-11(2)17;/h5-6,8-9,11H,4,7,17H2,1-3H3,(H,19,20);1H
InChIKeyLUPNUEQSGIIYQJ-UHFFFAOYSA-N
XLogP4.40
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride (CID 120561971) is 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride is Cc1csc(Sc2ccc(NC(=O)CCC(C)N)c(C)c2)n1.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride?
The InChIKey is LUPNUEQSGIIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2.ClH/c1-10-8-13(22-16-18-12(3)9-21-16)5-6-14(10)19-15(20)7-4-11(2)17;/h5-6,8-9,11H,4,7,17H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride?
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride has a molecular weight of 371.96 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).