[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol

C15H29N3OS — CID 102998063

IUPAC[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CCCN(C)C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C15H29N3OS/c1-7-18(10-8-9-17(5)6)14-16-13(15(2,3)4)12(11-19)20-14/h19H,7-11H2,1-6H3
InChIKeyXXFCDBOQQMBYGO-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.71
Rot. Bonds7

About [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol (PubChem CID 102998063) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
PubChem CID102998063
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol
SMILESCCN(CCCN(C)C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C15H29N3OS/c1-7-18(10-8-9-17(5)6)14-16-13(15(2,3)4)12(11-19)20-14/h19H,7-11H2,1-6H3
InChIKeyXXFCDBOQQMBYGO-UHFFFAOYSA-N
XLogP2.71
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol (CID 102998063) is [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol is CCN(CCCN(C)C)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol?
The InChIKey is XXFCDBOQQMBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-7-18(10-8-9-17(5)6)14-16-13(15(2,3)4)12(11-19)20-14/h19H,7-11H2,1-6H3.
What are the key properties of [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol has a molecular weight of 299.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 102998063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).