1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

C11H21N3S — CID 64539742

IUPAC1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1nc(C)c(CNCC(C)N(C)C)s1
InChIInChI=1S/C11H21N3S/c1-8(14(4)5)6-12-7-11-9(2)13-10(3)15-11/h8,12H,6-7H2,1-5H3
InChIKeyYTGAWZUCSZJLHR-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.80
Rot. Bonds5

About 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 64539742) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID64539742
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCc1nc(C)c(CNCC(C)N(C)C)s1
InChIInChI=1S/C11H21N3S/c1-8(14(4)5)6-12-7-11-9(2)13-10(3)15-11/h8,12H,6-7H2,1-5H3
InChIKeyYTGAWZUCSZJLHR-UHFFFAOYSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 64539510
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 111421913
tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
CID 107247781
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82431222
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529298
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941217
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 64539534

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 64539742) is 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is Cc1nc(C)c(CNCC(C)N(C)C)s1.
What is the InChIKey of 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is YTGAWZUCSZJLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8(14(4)5)6-12-7-11-9(2)13-10(3)15-11/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 64539742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).