2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride

C9H17Cl2N3OS — CID 119879043

IUPAC2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
SMILESCCC(NC(=O)CN)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-3-7(12-8(13)4-10)9-11-6(2)5-14-9;;/h5,7H,3-4,10H2,1-2H3,(H,12,13);2*1H
InChIKeyOEAHHSBQEQQPKH-UHFFFAOYSA-N
MW286.23 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride (PubChem CID 119879043) has the molecular formula C9H17Cl2N3OS and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
PubChem CID119879043
Molecular FormulaC9H17Cl2N3OS
Molecular Weight286.23 g/mol
Exact Mass285.05
IUPAC Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
SMILESCCC(NC(=O)CN)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-3-7(12-8(13)4-10)9-11-6(2)5-14-9;;/h5,7H,3-4,10H2,1-2H3,(H,12,13);2*1H
InChIKeyOEAHHSBQEQQPKH-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
CID 119133807
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride (CID 119879043) is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride is CCC(NC(=O)CN)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
The InChIKey is OEAHHSBQEQQPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS.2ClH/c1-3-7(12-8(13)4-10)9-11-6(2)5-14-9;;/h5,7H,3-4,10H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride?
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride has a molecular weight of 286.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119879043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).