N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine

C17H30N2S — CID 104863094

IUPACN-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine
SMILESCC(C)C(=Cc1csc(C(C)(C)C)n1)CNC(C)(C)C
InChIInChI=1S/C17H30N2S/c1-12(2)13(10-18-17(6,7)8)9-14-11-20-15(19-14)16(3,4)5/h9,11-12,18H,10H2,1-8H3
InChIKeyIOUOROJELAXZEB-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.87
Rot. Bonds4

About N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine

N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine (PubChem CID 104863094) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine
PubChem CID104863094
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine
SMILESCC(C)C(=Cc1csc(C(C)(C)C)n1)CNC(C)(C)C
InChIInChI=1S/C17H30N2S/c1-12(2)13(10-18-17(6,7)8)9-14-11-20-15(19-14)16(3,4)5/h9,11-12,18H,10H2,1-8H3
InChIKeyIOUOROJELAXZEB-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butyl-1,3-thiazol-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 104863099
(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
CID 81311201
N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine
CID 79338658
(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine
CID 79342653
4-[(E)-3-bromobut-1-enyl]-2-tert-butyl-1,3-thiazole
CID 130539557
4-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methyl-1,3-thiazole
CID 79334014
(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 114938948
N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79342446
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]-ethylamino]propanoic acid
CID 119191785
(2S)-2-[[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695778

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine (CID 104863094) is N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine is CC(C)C(=Cc1csc(C(C)(C)C)n1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine?
The InChIKey is IOUOROJELAXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-12(2)13(10-18-17(6,7)8)9-14-11-20-15(19-14)16(3,4)5/h9,11-12,18H,10H2,1-8H3.
What are the key properties of N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine?
N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 104863094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).