N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine

C13H26N4S — CID 120902202

IUPACN-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C)Cc1cnc(N)s1)C(C)C
InChIInChI=1S/C13H26N4S/c1-10(2)17(11(3)4)7-6-16(5)9-12-8-15-13(14)18-12/h8,10-11H,6-7,9H2,1-5H3,(H2,14,15)
InChIKeyIZDULXAUSOBKBQ-UHFFFAOYSA-N
MW270.45 g/mol
LogP2.28
Rot. Bonds7

About N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 120902202) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID120902202
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C)Cc1cnc(N)s1)C(C)C
InChIInChI=1S/C13H26N4S/c1-10(2)17(11(3)4)7-6-16(5)9-12-8-15-13(14)18-12/h8,10-11H,6-7,9H2,1-5H3,(H2,14,15)
InChIKeyIZDULXAUSOBKBQ-UHFFFAOYSA-N
XLogP2.28
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771856
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771928
5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900573
5-[[methyl(2-pyrazin-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904268
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900901
5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900881
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120900910
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 120902202) is N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCN(C)Cc1cnc(N)s1)C(C)C.
What is the InChIKey of N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is IZDULXAUSOBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-10(2)17(11(3)4)7-6-16(5)9-12-8-15-13(14)18-12/h8,10-11H,6-7,9H2,1-5H3,(H2,14,15).
What are the key properties of N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 270.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 120902202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).