4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine

C22H29N3S — CID 10133595

IUPAC4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCC(C)CN(Cc1csc(Nc2cccc3ccccc23)n1)CC(C)C
InChIInChI=1S/C22H29N3S/c1-16(2)12-25(13-17(3)4)14-19-15-26-22(23-19)24-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,15-17H,12-14H2,1-4H3,(H,23,24)
InChIKeyLRVKZYHKIZIVFI-UHFFFAOYSA-N
MW367.56 g/mol
LogP6.15
Rot. Bonds8

About 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine

4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 10133595) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID10133595
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESCC(C)CN(Cc1csc(Nc2cccc3ccccc23)n1)CC(C)C
InChIInChI=1S/C22H29N3S/c1-16(2)12-25(13-17(3)4)14-19-15-26-22(23-19)24-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,15-17H,12-14H2,1-4H3,(H,23,24)
InChIKeyLRVKZYHKIZIVFI-UHFFFAOYSA-N
XLogP6.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine (CID 10133595) is 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine is CC(C)CN(Cc1csc(Nc2cccc3ccccc23)n1)CC(C)C.
What is the InChIKey of 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is LRVKZYHKIZIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-16(2)12-25(13-17(3)4)14-19-15-26-22(23-19)24-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,15-17H,12-14H2,1-4H3,(H,23,24).
What are the key properties of 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 367.56 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methylpropyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 10133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).