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

C13H25N3OS — CID 113342046

IUPAC3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
SMILESCCN(CC)c1ncc(CNC(C)(C)C(C)O)s1
InChIInChI=1S/C13H25N3OS/c1-6-16(7-2)12-14-8-11(18-12)9-15-13(4,5)10(3)17/h8,10,15,17H,6-7,9H2,1-5H3
InChIKeyZJYUNDMBKUMMHN-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.24
Rot. Bonds7

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

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol (PubChem CID 113342046) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
PubChem CID113342046
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
SMILESCCN(CC)c1ncc(CNC(C)(C)C(C)O)s1
InChIInChI=1S/C13H25N3OS/c1-6-16(7-2)12-14-8-11(18-12)9-15-13(4,5)10(3)17/h8,10,15,17H,6-7,9H2,1-5H3
InChIKeyZJYUNDMBKUMMHN-UHFFFAOYSA-N
XLogP2.24
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[(2-methylbut-3-yn-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63997522
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-ethylbutan-1-ol
CID 62518572
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
CID 115870437
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
The IUPAC name of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol (CID 113342046) is 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol is CCN(CC)c1ncc(CNC(C)(C)C(C)O)s1.
What is the InChIKey of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
The InChIKey is ZJYUNDMBKUMMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-16(7-2)12-14-8-11(18-12)9-15-13(4,5)10(3)17/h8,10,15,17H,6-7,9H2,1-5H3.
What are the key properties of 3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol?
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.24, 7 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]-3-methylbutan-2-ol is sourced from PubChem (CID 113342046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).