N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H30N4S — CID 102998287

IUPACN'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc(CNC(C)(C)C)cs1
InChIInChI=1S/C15H30N4S/c1-7-19(10-8-9-18(5)6)14-17-13(12-20-14)11-16-15(2,3)4/h12,16H,7-11H2,1-6H3
InChIKeyDUFSXCYWDRJXJU-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.81
Rot. Bonds8

About N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102998287) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102998287
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc(CNC(C)(C)C)cs1
InChIInChI=1S/C15H30N4S/c1-7-19(10-8-9-18(5)6)14-17-13(12-20-14)11-16-15(2,3)4/h12,16H,7-11H2,1-6H3
InChIKeyDUFSXCYWDRJXJU-UHFFFAOYSA-N
XLogP2.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102998287) is N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1nc(CNC(C)(C)C)cs1.
What is the InChIKey of N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is DUFSXCYWDRJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-7-19(10-8-9-18(5)6)14-17-13(12-20-14)11-16-15(2,3)4/h12,16H,7-11H2,1-6H3.
What are the key properties of N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102998287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).