3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide

C12H22N4OS — CID 115870437

IUPAC3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
SMILESCCN(CC)c1ncc(CNC(C)CC(N)=O)s1
InChIInChI=1S/C12H22N4OS/c1-4-16(5-2)12-15-8-10(18-12)7-14-9(3)6-11(13)17/h8-9,14H,4-7H2,1-3H3,(H2,13,17)
InChIKeyWIGIMZNVQPWWGL-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.34
Rot. Bonds8

About 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide (PubChem CID 115870437) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide.

Molecular Properties

Compound Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
PubChem CID115870437
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
SMILESCCN(CC)c1ncc(CNC(C)CC(N)=O)s1
InChIInChI=1S/C12H22N4OS/c1-4-16(5-2)12-15-8-10(18-12)7-14-9(3)6-11(13)17/h8-9,14H,4-7H2,1-3H3,(H2,13,17)
InChIKeyWIGIMZNVQPWWGL-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
N,N-diethyl-5-[[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
CID 93294400
(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]propanamide
CID 39794308
N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
CID 43766835
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 113342046
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 78961443
5-(aminomethyl)-N,N-diethyl-1,3-thiazol-2-amine
CID 18801628

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide?
The IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide (CID 115870437) is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide.
What is the SMILES notation for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide?
The canonical SMILES for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide is CCN(CC)c1ncc(CNC(C)CC(N)=O)s1.
What is the InChIKey of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide?
The InChIKey is WIGIMZNVQPWWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-16(5-2)12-15-8-10(18-12)7-14-9(3)6-11(13)17/h8-9,14H,4-7H2,1-3H3,(H2,13,17).
What are the key properties of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide?
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide has a molecular weight of 270.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide is sourced from PubChem (CID 115870437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).