N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

C13H24N2S — CID 62531100

IUPACN-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1ncsc1CCC(C)CNC(C)(C)C
InChIInChI=1S/C13H24N2S/c1-10(8-15-13(3,4)5)6-7-12-11(2)14-9-16-12/h9-10,15H,6-8H2,1-5H3
InChIKeyDATKQQWJHFFFGX-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.41
Rot. Bonds5

About N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 62531100) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID62531100
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCc1ncsc1CCC(C)CNC(C)(C)C
InChIInChI=1S/C13H24N2S/c1-10(8-15-13(3,4)5)6-7-12-11(2)14-9-16-12/h9-10,15H,6-8H2,1-5H3
InChIKeyDATKQQWJHFFFGX-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
CID 114899207
N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 55077594
3,3-dimethyl-N-(2-methylpropyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 83139639
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 66091745
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 62531100) is N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is Cc1ncsc1CCC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is DATKQQWJHFFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(8-15-13(3,4)5)6-7-12-11(2)14-9-16-12/h9-10,15H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 62531100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).