4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride

C7H12ClN3OS — CID 168719847

IUPAC4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS.ClH/c8-3-1-2-6(11)10-7-9-4-5-12-7;/h4-5H,1-3,8H2,(H,9,10,11);1H
InChIKeyZJSVTGUWLFERDH-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride

4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride (PubChem CID 168719847) has the molecular formula C7H12ClN3OS and a molecular weight of 221.71 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
PubChem CID168719847
Molecular FormulaC7H12ClN3OS
Molecular Weight221.71 g/mol
Exact Mass221.04
IUPAC Name4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS.ClH/c8-3-1-2-6(11)10-7-9-4-5-12-7;/h4-5H,1-3,8H2,(H,9,10,11);1H
InChIKeyZJSVTGUWLFERDH-UHFFFAOYSA-N
XLogP1.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13163904
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1,3-thiazol-2-ylurea;hydrochloride
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4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
CID 53319122
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
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7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride (CID 168719847) is 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1nccs1.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride?
The InChIKey is ZJSVTGUWLFERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS.ClH/c8-3-1-2-6(11)10-7-9-4-5-12-7;/h4-5H,1-3,8H2,(H,9,10,11);1H.
What are the key properties of 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride?
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 168719847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).