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

C14H27N3S — CID 55113145

IUPACN-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C14H27N3S/c1-7-8-9-17(6)13-16-12(14(2,3)4)11(18-13)10-15-5/h15H,7-10H2,1-6H3
InChIKeyLJPPXSJBCPFUKU-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.40
Rot. Bonds6

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

N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 55113145) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID55113145
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C14H27N3S/c1-7-8-9-17(6)13-16-12(14(2,3)4)11(18-13)10-15-5/h15H,7-10H2,1-6H3
InChIKeyLJPPXSJBCPFUKU-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 55113145) is N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCCCN(C)c1nc(C(C)(C)C)c(CNC)s1.
What is the InChIKey of N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is LJPPXSJBCPFUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-8-9-17(6)13-16-12(14(2,3)4)11(18-13)10-15-5/h15H,7-10H2,1-6H3.
What are the key properties of N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55113145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).