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

C16H31N3OS — CID 102998072

IUPAC[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)CCCN(CC)CC)sc1CO
InChIInChI=1S/C16H31N3OS/c1-5-10-14-15(13-20)21-16(17-14)19(8-4)12-9-11-18(6-2)7-3/h20H,5-13H2,1-4H3
InChIKeyNMYGDWKTLWPAEA-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.15
Rot. Bonds11

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

[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 102998072) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID102998072
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)CCCN(CC)CC)sc1CO
InChIInChI=1S/C16H31N3OS/c1-5-10-14-15(13-20)21-16(17-14)19(8-4)12-9-11-18(6-2)7-3/h20H,5-13H2,1-4H3
InChIKeyNMYGDWKTLWPAEA-UHFFFAOYSA-N
XLogP3.15
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 102998072) is [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC)CCCN(CC)CC)sc1CO.
What is the InChIKey of [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is NMYGDWKTLWPAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-5-10-14-15(13-20)21-16(17-14)19(8-4)12-9-11-18(6-2)7-3/h20H,5-13H2,1-4H3.
What are the key properties of [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 313.51 g/mol, XLogP of 3.15, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 102998072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).