2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine

C11H21N3S — CID 65266835

IUPAC2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
SMILESCC(C)(N)C(C)(C)CNCc1nccs1
InChIInChI=1S/C11H21N3S/c1-10(2,11(3,4)12)8-13-7-9-14-5-6-15-9/h5-6,13H,7-8,12H2,1-4H3
InChIKeyGVGMVVJVPPALSU-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.00
Rot. Bonds5

About 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine

2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine (PubChem CID 65266835) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
PubChem CID65266835
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
SMILESCC(C)(N)C(C)(C)CNCc1nccs1
InChIInChI=1S/C11H21N3S/c1-10(2,11(3,4)12)8-13-7-9-14-5-6-15-9/h5-6,13H,7-8,12H2,1-4H3
InChIKeyGVGMVVJVPPALSU-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
4,4-dimethyl-5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 103897626
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
CID 103714773
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
4-methoxy-1-N-(1,3-thiazol-2-ylmethyl)butane-1,2-diamine
CID 62477835
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 65232884
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine (CID 65266835) is 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine is CC(C)(N)C(C)(C)CNCc1nccs1.
What is the InChIKey of 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine?
The InChIKey is GVGMVVJVPPALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-10(2,11(3,4)12)8-13-7-9-14-5-6-15-9/h5-6,13H,7-8,12H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine?
2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 65266835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).