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

C12H23N3OS — CID 43771096

IUPAC2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cnc(N(CC)CC)s1
InChIInChI=1S/C12H23N3OS/c1-4-10(9-16)13-7-11-8-14-12(17-11)15(5-2)6-3/h8,10,13,16H,4-7,9H2,1-3H3
InChIKeyZAOPGYDICPVSTR-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.85
Rot. Bonds8

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

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol (PubChem CID 43771096) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
PubChem CID43771096
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cnc(N(CC)CC)s1
InChIInChI=1S/C12H23N3OS/c1-4-10(9-16)13-7-11-8-14-12(17-11)15(5-2)6-3/h8,10,13,16H,4-7,9H2,1-3H3
InChIKeyZAOPGYDICPVSTR-UHFFFAOYSA-N
XLogP1.85
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.85
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
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
CID 115870437
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
CID 62518572
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
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 78961443

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol (CID 43771096) is 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol is CCC(CO)NCc1cnc(N(CC)CC)s1.
What is the InChIKey of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol?
The InChIKey is ZAOPGYDICPVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-4-10(9-16)13-7-11-8-14-12(17-11)15(5-2)6-3/h8,10,13,16H,4-7,9H2,1-3H3.
What are the key properties of 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol?
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol is sourced from PubChem (CID 43771096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).