N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine

C11H20N2S — CID 115920915

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
SMILESCCC(C)NC(C)(C)c1ncc(C)s1
InChIInChI=1S/C11H20N2S/c1-6-8(2)13-11(4,5)10-12-7-9(3)14-10/h7-8,13H,6H2,1-5H3
InChIKeyASYASJJPMDLFMZ-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine

N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine (PubChem CID 115920915) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
PubChem CID115920915
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
SMILESCCC(C)NC(C)(C)c1ncc(C)s1
InChIInChI=1S/C11H20N2S/c1-6-8(2)13-11(4,5)10-12-7-9(3)14-10/h7-8,13H,6H2,1-5H3
InChIKeyASYASJJPMDLFMZ-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
CID 115920923
methyl 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetate
CID 75504790
2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
CID 119870218
2-(2-methoxybutan-2-yl)-5-methyl-1,3-thiazole
CID 116782788
N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]azetidin-3-amine
CID 130763267
5-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 146137005
3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 122018657
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225
1-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-(1-pyridin-3-ylethyl)urea
CID 75494712
2-hydroxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-phenylacetamide
CID 111860346
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
CID 116782789
N-(3,3-dimethylbutan-2-yl)-5-methyl-1,3-thiazol-2-amine;molecular hydrogen;propane
CID 170632496

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine (CID 115920915) is N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine is CCC(C)NC(C)(C)c1ncc(C)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
The InChIKey is ASYASJJPMDLFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-6-8(2)13-11(4,5)10-12-7-9(3)14-10/h7-8,13H,6H2,1-5H3.
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine is sourced from PubChem (CID 115920915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).