[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol

C16H29N3OS — CID 63520638

IUPAC[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC)C1CCN(c2nc(C(C)(C)C)c(CO)s2)C1
InChIInChI=1S/C16H29N3OS/c1-6-18(7-2)12-8-9-19(10-12)15-17-14(16(3,4)5)13(11-20)21-15/h12,20H,6-11H2,1-5H3
InChIKeyVFNUUTXFQBFNAS-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.85
Rot. Bonds5

About [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 63520638) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID63520638
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESCCN(CC)C1CCN(c2nc(C(C)(C)C)c(CO)s2)C1
InChIInChI=1S/C16H29N3OS/c1-6-18(7-2)12-8-9-19(10-12)15-17-14(16(3,4)5)13(11-20)21-15/h12,20H,6-11H2,1-5H3
InChIKeyVFNUUTXFQBFNAS-UHFFFAOYSA-N
XLogP2.85
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.85
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-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol (CID 63520638) is [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol is CCN(CC)C1CCN(c2nc(C(C)(C)C)c(CO)s2)C1.
What is the InChIKey of [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is VFNUUTXFQBFNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-18(7-2)12-8-9-19(10-12)15-17-14(16(3,4)5)13(11-20)21-15/h12,20H,6-11H2,1-5H3.
What are the key properties of [4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 311.50 g/mol, XLogP of 2.85, 5 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-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63520638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).