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

C10H16ClN3OS — CID 169194218

IUPAC2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride
SMILESCl.NC(=O)C(N)CC1CCCc2scnc21
InChIInChI=1S/C10H15N3OS.ClH/c11-7(10(12)14)4-6-2-1-3-8-9(6)13-5-15-8;/h5-7H,1-4,11H2,(H2,12,14);1H
InChIKeyBFXKEEKZWMCZJO-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.19
Rot. Bonds3

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

2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride (PubChem CID 169194218) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride
PubChem CID169194218
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride
SMILESCl.NC(=O)C(N)CC1CCCc2scnc21
InChIInChI=1S/C10H15N3OS.ClH/c11-7(10(12)14)4-6-2-1-3-8-9(6)13-5-15-8;/h5-7H,1-4,11H2,(H2,12,14);1H
InChIKeyBFXKEEKZWMCZJO-UHFFFAOYSA-N
XLogP1.19
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
CID 90303442
4,5,6,7-Tetrahydro-1,3-benzothiazole-4-carboxamide
CID 13424805
2-Chloro-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 22934853
N-(2-aminoethyl)-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 66686410
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 123178466
4,5,6,7-Tetrahydro-1,3-benzothiazole-7-carboxamide
CID 141405189
(4S,5S)-2,4-diamino-5-methyl-1-(4-methyl-1,3-thiazol-5-yl)heptan-3-one
CID 141796405
tert-butyl N-[1-amino-1-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propan-2-yl]carbamate
CID 169193517
Methyl 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanoate;hydrochloride
CID 169193948
2-amino-3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)propanamide
CID 169194289
[1-Amino-1-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propan-2-yl]carbamic acid
CID 170166150
4-[2-(4-Methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 176377768

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride (CID 169194218) is 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride is Cl.NC(=O)C(N)CC1CCCc2scnc21.
What is the InChIKey of 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride?
The InChIKey is BFXKEEKZWMCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/c11-7(10(12)14)4-6-2-1-3-8-9(6)13-5-15-8;/h5-7H,1-4,11H2,(H2,12,14);1H.
What are the key properties of 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride?
2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 169194218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).