1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol

C16H22N2OS — CID 84598812

IUPAC1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCc1csc(CN(Cc2ccccc2)CC(C)(C)O)n1
InChIInChI=1S/C16H22N2OS/c1-13-11-20-15(17-13)10-18(12-16(2,3)19)9-14-7-5-4-6-8-14/h4-8,11,19H,9-10,12H2,1-3H3
InChIKeyBQSTYIPSWXZACY-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.22
Rot. Bonds6

About 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol

1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol (PubChem CID 84598812) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
PubChem CID84598812
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol
SMILESCc1csc(CN(Cc2ccccc2)CC(C)(C)O)n1
InChIInChI=1S/C16H22N2OS/c1-13-11-20-15(17-13)10-18(12-16(2,3)19)9-14-7-5-4-6-8-14/h4-8,11,19H,9-10,12H2,1-3H3
InChIKeyBQSTYIPSWXZACY-UHFFFAOYSA-N
XLogP3.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol (CID 84598812) is 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol is Cc1csc(CN(Cc2ccccc2)CC(C)(C)O)n1.
What is the InChIKey of 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
The InChIKey is BQSTYIPSWXZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13-11-20-15(17-13)10-18(12-16(2,3)19)9-14-7-5-4-6-8-14/h4-8,11,19H,9-10,12H2,1-3H3.
What are the key properties of 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol?
1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol has a molecular weight of 290.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 84598812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).