2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride

C20H24ClN3OS — CID 119684964

IUPAC2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-3-12-20(2,21)19(24)22-15-10-8-14(9-11-15)13-18-23-16-6-4-5-7-17(16)25-18;/h4-11H,3,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyKTUYCASQRRVYAM-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.76
Rot. Bonds6

About 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride

2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119684964) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119684964
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-3-12-20(2,21)19(24)22-15-10-8-14(9-11-15)13-18-23-16-6-4-5-7-17(16)25-18;/h4-11H,3,12-13,21H2,1-2H3,(H,22,24);1H
InChIKeyKTUYCASQRRVYAM-UHFFFAOYSA-N
XLogP4.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119756789
4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074383
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide
CID 7063625
4-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methoxybutanamide
CID 120587004
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119684955
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119268822
2-amino-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pentanamide;hydrochloride
CID 119677119
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 42116254
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(carbamoylamino)-3-methylpentanamide
CID 112794952
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide
CID 54857994
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
CID 119268823

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride (CID 119684964) is 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is KTUYCASQRRVYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS.ClH/c1-3-12-20(2,21)19(24)22-15-10-8-14(9-11-15)13-18-23-16-6-4-5-7-17(16)25-18;/h4-11H,3,12-13,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119684964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).