N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C11H20ClN3S — CID 104878338

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ncc(Cl)s1
InChIInChI=1S/C11H20ClN3S/c1-11(2,8-15(3)4)7-13-6-10-14-5-9(12)16-10/h5,13H,6-8H2,1-4H3
InChIKeyOYVCJRUNXUURCJ-UHFFFAOYSA-N
MW261.82 g/mol
LogP2.47
Rot. Bonds6

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 104878338) has the molecular formula C11H20ClN3S and a molecular weight of 261.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID104878338
Molecular FormulaC11H20ClN3S
Molecular Weight261.82 g/mol
Exact Mass261.11
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ncc(Cl)s1
InChIInChI=1S/C11H20ClN3S/c1-11(2,8-15(3)4)7-13-6-10-14-5-9(12)16-10/h5,13H,6-8H2,1-4H3
InChIKeyOYVCJRUNXUURCJ-UHFFFAOYSA-N
XLogP2.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 107124089
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2,2-dimethylpropanenitrile
CID 104881401
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 104879510
N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992561
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
CID 104878932
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
N'-butan-2-yl-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 104878961
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 104879207

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 104878338) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is OYVCJRUNXUURCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3S/c1-11(2,8-15(3)4)7-13-6-10-14-5-9(12)16-10/h5,13H,6-8H2,1-4H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 261.82 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 104878338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).