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

C12H23Cl2N3OS — CID 119879007

IUPAC4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
SMILESCCC(NC(=O)CCCNC)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-4-10(12-14-9(2)8-17-12)15-11(16)6-5-7-13-3;;/h8,10,13H,4-7H2,1-3H3,(H,15,16);2*1H
InChIKeyWNKCFEIPOHGXLH-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.86
Rot. Bonds7

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

4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride (PubChem CID 119879007) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
PubChem CID119879007
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC Name4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
SMILESCCC(NC(=O)CCCNC)c1nc(C)cs1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-4-10(12-14-9(2)8-17-12)15-11(16)6-5-7-13-3;;/h8,10,13H,4-7H2,1-3H3,(H,15,16);2*1H
InChIKeyWNKCFEIPOHGXLH-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
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
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
4-(methylamino)-N-(1-pyridin-4-ylpropyl)butanamide
CID 119884880
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 116555711
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride (CID 119879007) is 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride is CCC(NC(=O)CCCNC)c1nc(C)cs1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The InChIKey is WNKCFEIPOHGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c1-4-10(12-14-9(2)8-17-12)15-11(16)6-5-7-13-3;;/h8,10,13H,4-7H2,1-3H3,(H,15,16);2*1H.
What are the key properties of 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 119879007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).