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

C28H37N3S — CID 11496063

IUPAC4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESc1ccc2c(Nc3nc(CN(CC4CCCCC4)CC4CCCCC4)cs3)cccc2c1
InChIInChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
InChIKeyUWOWEDOVRFXUHU-UHFFFAOYSA-N
MW447.69 g/mol
LogP8.00
Rot. Bonds8

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

4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine (PubChem CID 11496063) has the molecular formula C28H37N3S and a molecular weight of 447.69 g/mol. Its IUPAC name is 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
PubChem CID11496063
Molecular FormulaC28H37N3S
Molecular Weight447.69 g/mol
Exact Mass447.27
IUPAC Name4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
SMILESc1ccc2c(Nc3nc(CN(CC4CCCCC4)CC4CCCCC4)cs3)cccc2c1
InChIInChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
InChIKeyUWOWEDOVRFXUHU-UHFFFAOYSA-N
XLogP8.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.69
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814022
4-tert-butyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814340
N-(naphthalen-1-yl)-4-neopentylthiazol-2-amine
CID 9922232
4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 692856
N-(naphthalen-1-yl)-4-phenylthiazol-2-amine
CID 4015979
N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3903218
2-(naphthalen-1-ylamino)-N-propyl-1,3-thiazole-4-carboxamide
CID 4267746
(4-(4-(Tert-butyl)phenyl)(2,5-thiazolyl))-1-naphthylamine
CID 5071677
4-tert-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiazol-2-amine
CID 9943773
4-((diisobutylamino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 10133595
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-aminothiazole
CID 14726992
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-amino-5-methylthiazole
CID 14726996

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine (CID 11496063) is 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine is c1ccc2c(Nc3nc(CN(CC4CCCCC4)CC4CCCCC4)cs3)cccc2c1.
What is the InChIKey of 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
The InChIKey is UWOWEDOVRFXUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30).
What are the key properties of 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine?
4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine has a molecular weight of 447.69 g/mol, XLogP of 8.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(cyclohexylmethyl)amino]methyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 11496063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).