N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C16H29N3S — CID 107402089

IUPACN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1csc(CNCC(C)C)n1)CC1CCC1
InChIInChI=1S/C16H29N3S/c1-4-19(10-14-6-5-7-14)11-15-12-20-16(18-15)9-17-8-13(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyCZKIKKCZYIDANR-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.51
Rot. Bonds9

About N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107402089) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107402089
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1csc(CNCC(C)C)n1)CC1CCC1
InChIInChI=1S/C16H29N3S/c1-4-19(10-14-6-5-7-14)11-15-12-20-16(18-15)9-17-8-13(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyCZKIKKCZYIDANR-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 107402089) is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CCN(Cc1csc(CNCC(C)C)n1)CC1CCC1.
What is the InChIKey of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CZKIKKCZYIDANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-19(10-14-6-5-7-14)11-15-12-20-16(18-15)9-17-8-13(2)3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107402089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).