4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride

C18H24ClN3OS — CID 120561536

IUPAC4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12(19)7-10-17(22)21-18-20-15-9-8-14(11-16(15)23-18)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,19H2,1H3,(H,20,21,22);1H
InChIKeyOZTHURQWKYSDJW-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.90
Rot. Bonds5

About 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride

4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride (PubChem CID 120561536) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
PubChem CID120561536
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-12(19)7-10-17(22)21-18-20-15-9-8-14(11-16(15)23-18)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,19H2,1H3,(H,20,21,22);1H
InChIKeyOZTHURQWKYSDJW-UHFFFAOYSA-N
XLogP3.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 60596854
2-amino-3-methoxy-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 120987782
cis-(1S,2R)-2-methyl-N-[(6S)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 100850122
2-(cyclopropylmethoxy)-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71884311
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596798
2-acetamido-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 95588654
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CID 75510344
ethyl 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 61385455
3-methyl-5-(methylamino)-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 56799690
N-tert-butyl-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 63472248
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
3,6-dichloro-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 60596740

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride (CID 120561536) is 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride is CC(N)CCC(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2.Cl.
What is the InChIKey of 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
The InChIKey is OZTHURQWKYSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c1-12(19)7-10-17(22)21-18-20-15-9-8-14(11-16(15)23-18)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,19H2,1H3,(H,20,21,22);1H.
What are the key properties of 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride?
4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120561536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).